9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C128H116B3Br3I3N5O7 — CID 165024684

IUPAC9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c2)OC1(C)C.CI.CI.CI.c1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)cc4n-2c13.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C40H24N2O.C28H26BNO2.C22H14BrN.C12H24B2O4.C12H9N.C10H6Br2.3CH3I.CH4/c1-3-11-34-30(8-1)31-9-2-4-12-35(31)41(34)29-20-18-26-22-25(16-17-27(26)23-29)28-19-21-32-33-10-7-15-39-40(33)42(37(32)24-28)36-13-5-6-14-38(36)43-39;1-27(2)28(3,4)32-29(31-27)21-15-13-20-18-22(16-14-19(20)17-21)30-25-11-7-5-9-23(25)24-10-6-8-12-26(24)30;23-17-11-9-16-14-18(12-10-15(16)13-17)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;11-9-3-1-7-5-10(12)4-2-8(7)6-9;3*1-2;/h1-24H;5-18H,1-4H3;1-14H;1-8H3;1-8,13H;1-6H;3*1H3;1H4
InChIKeyLRPHWJZSDWXMST-UHFFFAOYSA-N
MW2489.22 g/mol
LogP37.47
Rot. Bonds6

About 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165024684) has the molecular formula C128H116B3Br3I3N5O7 and a molecular weight of 2489.22 g/mol. Its IUPAC name is 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID165024684
Molecular FormulaC128H116B3Br3I3N5O7
Molecular Weight2489.22 g/mol
Exact Mass2485.38
IUPAC Name9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c2)OC1(C)C.CI.CI.CI.c1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)cc4n-2c13.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C40H24N2O.C28H26BNO2.C22H14BrN.C12H24B2O4.C12H9N.C10H6Br2.3CH3I.CH4/c1-3-11-34-30(8-1)31-9-2-4-12-35(31)41(34)29-20-18-26-22-25(16-17-27(26)23-29)28-19-21-32-33-10-7-15-39-40(33)42(37(32)24-28)36-13-5-6-14-38(36)43-39;1-27(2)28(3,4)32-29(31-27)21-15-13-20-18-22(16-14-19(20)17-21)30-25-11-7-5-9-23(25)24-10-6-8-12-26(24)30;23-17-11-9-16-14-18(12-10-15(16)13-17)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;11-9-3-1-7-5-10(12)4-2-8(7)6-9;3*1-2;/h1-24H;5-18H,1-4H3;1-14H;1-8H3;1-8,13H;1-6H;3*1H3;1H4
InChIKeyLRPHWJZSDWXMST-UHFFFAOYSA-N
XLogP37.47
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002489.22
LogP ≤ 537.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

16-[3-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;iodomethane;octatetracontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146-triheptacontayne;9-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 164962733
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
1-bromo-4-iodobenzene;9-(4-bromophenyl)-3-dibenzofuran-2-ylcarbazole;5-chloro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-dibenzofuran-2-yl-9H-carbazole;2,4-dichloro-1-iodobenzene;10-(2,4-dichlorophenyl)phenoxazine;iodomethane;10H-phenoxazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 165049531
1-bromo-3-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 159037607
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
CID 151324899
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795640
N,N-bis(4-chlorophenyl)-4-(9H-fluoren-2-yl)aniline;N,N-bis(4-chlorophenyl)-4-[9-(4-hexylphenyl)carbazol-2-yl]aniline;N,N-bis(4-chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromo-9H-carbazole;1-bromo-4-hexylbenzene;N-[4-[9-(4-hexylphenyl)carbazol-2-yl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160904288
11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 161144927
4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795179
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 158091716
5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole
CID 145318504

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165024684) is 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c2)OC1(C)C.CI.CI.CI.c1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)cc4n-2c13.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is LRPHWJZSDWXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O.C28H26BNO2.C22H14BrN.C12H24B2O4.C12H9N.C10H6Br2.3CH3I.CH4/c1-3-11-34-30(8-1)31-9-2-4-12-35(31)41(34)29-20-18-26-22-25(16-17-27(26)23-29)28-19-21-32-33-10-7-15-39-40(33)42(37(32)24-28)36-13-5-6-14-38(36)43-39;1-27(2)28(3,4)32-29(31-27)21-15-13-20-18-22(16-14-19(20)17-21)30-25-11-7-5-9-23(25)24-10-6-8-12-26(24)30;23-17-11-9-16-14-18(12-10-15(16)13-17)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;11-9-3-1-7-5-10(12)4-2-8(7)6-9;3*1-2;/h1-24H;5-18H,1-4H3;1-14H;1-8H3;1-8,13H;1-6H;3*1H3;1H4.
What are the key properties of 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2489.22 g/mol, XLogP of 37.47, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromonaphthalen-2-yl)carbazole;9H-carbazole;4-(6-carbazol-9-ylnaphthalen-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;2,6-dibromonaphthalene;iodomethane;methane;9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165024684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).