6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C280H416B2Br2N2O4S4 — CID 157258940

IUPAC6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(Br)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(Br)sc2-4)cc1.CCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(C)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(-c3ccc5c6ccc(C)cc6n(C)c5c3)sc2-4)cc1.Cn1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C135H199NS2.C120H184Br2S2.C25H33B2NO4/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-72-76-80-112-85-94-117(95-86-112)134(118-96-87-113(88-97-118)81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)125-108-124-126(107-123(125)132-127(134)105-111(6)137-132)135(128-109-131(138-133(124)128)116-93-103-122-121-102-84-110(5)104-129(121)136(7)130(122)106-116,119-98-89-114(90-99-119)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)120-100-91-115(92-101-120)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4;1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-101-81-89-105(90-82-101)119(106-91-83-102(84-92-106)78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)111-97-110-112(98-109(111)117-113(119)99-115(121)123-117)120(114-100-116(122)124-118(110)114,107-93-85-103(86-94-107)79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)108-95-87-104(88-96-108)80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-22(2)23(3,4)30-26(29-22)16-10-12-18-19-13-11-17(15-21(19)28(9)20(18)14-16)27-31-24(5,6)25(7,8)32-27/h84-109H,8-83H2,1-7H3;81-100H,5-80H2,1-4H3;10-15H,1-9H3
InChIKeyAXFPEKKOWFYKJR-UHFFFAOYSA-N
MW4184.12 g/mol
LogP91.13
Rot. Bonds163

About 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157258940) has the molecular formula C280H416B2Br2N2O4S4 and a molecular weight of 4184.12 g/mol. Its IUPAC name is 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID157258940
Molecular FormulaC280H416B2Br2N2O4S4
Molecular Weight4184.12 g/mol
Exact Mass4178.98
IUPAC Name6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(Br)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(Br)sc2-4)cc1.CCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(C)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(-c3ccc5c6ccc(C)cc6n(C)c5c3)sc2-4)cc1.Cn1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C135H199NS2.C120H184Br2S2.C25H33B2NO4/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-72-76-80-112-85-94-117(95-86-112)134(118-96-87-113(88-97-118)81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)125-108-124-126(107-123(125)132-127(134)105-111(6)137-132)135(128-109-131(138-133(124)128)116-93-103-122-121-102-84-110(5)104-129(121)136(7)130(122)106-116,119-98-89-114(90-99-119)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)120-100-91-115(92-101-120)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4;1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-101-81-89-105(90-82-101)119(106-91-83-102(84-92-106)78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)111-97-110-112(98-109(111)117-113(119)99-115(121)123-117)120(114-100-116(122)124-118(110)114,107-93-85-103(86-94-107)79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)108-95-87-104(88-96-108)80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-22(2)23(3,4)30-26(29-22)16-10-12-18-19-13-11-17(15-21(19)28(9)20(18)14-16)27-31-24(5,6)25(7,8)32-27/h84-109H,8-83H2,1-7H3;81-100H,5-80H2,1-4H3;10-15H,1-9H3
InChIKeyAXFPEKKOWFYKJR-UHFFFAOYSA-N
XLogP91.13
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds163
Heavy Atoms294
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004184.12
LogP ≤ 591.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

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Related Compounds

9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole
CID 58879553
9-Decyl-2-methyl-7-[9,9,18,18-tetrakis(4-butylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole
CID 117825571
2,9-Dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole
CID 117825592
9-Icosyl-2-methyl-7-[15-methyl-9,9,18,18-tetrakis(4-methylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole
CID 123211579
2-Methyl-7-[15-methyl-9,9,18,18-tetrakis(4-octylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-9-octylcarbazole
CID 123476160
6-(9,9-Dihexyl-7-methylfluoren-2-yl)-4,4-dihexyl-2-methylindeno[1,2-b]thiophene;6-(9,9-dihexyl-7-methylfluoren-2-yl)-2,4-dimethylthieno[3,2-b]indole;4,4-dihexyl-2-methyl-6-(4-methylphenyl)indeno[1,2-b]thiophene;6-(3,4-dihexyl-5-methylthiophen-2-yl)-2-methylthieno[3,2-b][1]benzothiole;4-hexyl-2-methyl-6-(4-methylphenyl)thieno[3,2-b]indole
CID 124020408
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole;6,17-dibromo-3,3,14,14-tetramethyl-7,18-dithiahexacyclo[10.10.0.02,9.04,8.013,20.015,19]docosa-1(12),2(9),4(8),5,10,13(20),15(19),16,21-nonaene;7-methyl-4-(3,3,14,14,17-pentamethyl-7,18-dithiahexacyclo[10.10.0.02,9.04,8.013,20.015,19]docosa-1(12),2(9),4(8),5,10,13(20),15(19),16,21-nonaen-6-yl)-2,1,3-benzothiadiazole
CID 157297898
2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene];9H-carbazole;9-(7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl)carbazole;2,7-di(anthracen-9-yl)-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene];6',7'-dimethyl-2,7-bis(1,2,2-triphenylethenyl)spiro[fluorene-9,4'-indeno[2,1-b]thiophene];6',7'-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2,7-diamine;2-[4-(2,2-diphenylethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-phenylnaphthalen-1-amine;4,4,5,5-tetramethyl-2-(1,2,2-triphenylethenyl)-1,3,2-dioxaborolane
CID 157353340
6,15-Dibromo-9,9,18,18-tetrakis(4-octylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2-methyl-7-[15-methyl-9,9,18,18-tetrakis(4-octylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-9-octylcarbazole;9-octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157422793
4,10-Dibromo-7-(2-ethylhexyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;9,10-dibromo-2-fluoroanthracene;4-[7-[10-(9,9-didodecyl-7-methylfluoren-2-yl)-3-fluoroanthracen-9-yl]-9,9-didodecylfluoren-2-yl]-7-(2-ethylhexyl)-10-methyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-[9,9-didodecyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157432280
9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
CID 157479613
4-(7-Bromo-9,9-dimethylfluoren-2-yl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157524715

Frequently Asked Questions

What is the IUPAC name of 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 157258940) is 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(Br)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(Br)sc2-4)cc1.CCCCCCCCCCCCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCCCCCCCCCCCC)cc3)c3cc4c(cc3-c3sc(C)cc32)C(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(CCCCCCCCCCCCCCCCCCCC)cc2)c2cc(-c3ccc5c6ccc(C)cc6n(C)c5c3)sc2-4)cc1.Cn1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is AXFPEKKOWFYKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H199NS2.C120H184Br2S2.C25H33B2NO4/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-72-76-80-112-85-94-117(95-86-112)134(118-96-87-113(88-97-118)81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)125-108-124-126(107-123(125)132-127(134)105-111(6)137-132)135(128-109-131(138-133(124)128)116-93-103-122-121-102-84-110(5)104-129(121)136(7)130(122)106-116,119-98-89-114(90-99-119)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3)120-100-91-115(92-101-120)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4;1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-101-81-89-105(90-82-101)119(106-91-83-102(84-92-106)78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)111-97-110-112(98-109(111)117-113(119)99-115(121)123-117)120(114-100-116(122)124-118(110)114,107-93-85-103(86-94-107)79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)108-95-87-104(88-96-108)80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-22(2)23(3,4)30-26(29-22)16-10-12-18-19-13-11-17(15-21(19)28(9)20(18)14-16)27-31-24(5,6)25(7,8)32-27/h84-109H,8-83H2,1-7H3;81-100H,5-80H2,1-4H3;10-15H,1-9H3.
What are the key properties of 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 4184.12 g/mol, XLogP of 91.13, 163 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dibromo-9,9,18,18-tetrakis(4-icosylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,9-dimethyl-7-[9,9,18,18-tetrakis(4-icosylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]carbazole;9-methyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 157258940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).