9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole

C166H115N7 — CID 118065849

IUPAC9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5cn(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)nn5)cc4)c(-c4ccc(-c5cc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc(-n6c7ccc(C)cc7c7cc(C)ccc76)c5)cc4)c4c5cccc6c7c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c7c7cccc(c34)c7c65)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C166H115N7/c1-100-53-73-145-136(81-100)137-82-101(2)54-74-146(137)170(145)128-93-125(94-129(97-128)171-147-75-55-102(3)83-138(147)139-84-103(4)56-76-148(139)171)110-61-67-119(68-62-110)159-155(115-41-24-13-25-42-115)156(118-71-65-112(66-72-118)144-99-169(168-167-144)127-48-30-47-121(92-127)124-90-122(108-33-16-9-17-34-108)89-123(91-124)109-35-18-10-19-36-109)160(120-69-63-111(64-70-120)126-95-130(172-149-77-57-104(5)85-140(149)141-86-105(6)58-78-150(141)172)98-131(96-126)173-151-79-59-106(7)87-142(151)143-88-107(8)60-80-152(143)173)166-135-52-32-50-133-162(135)161-132(49-31-51-134(161)165(159)166)163-157(116-43-26-14-27-44-116)153(113-37-20-11-21-38-113)154(114-39-22-12-23-40-114)158(164(133)163)117-45-28-15-29-46-117/h9-99H,1-8H3
InChIKeyCCGYHZZZIMWOQQ-UHFFFAOYSA-N
MW2207.79 g/mol
LogP44.66
Rot. Bonds19

About 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole

9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 118065849) has the molecular formula C166H115N7 and a molecular weight of 2207.79 g/mol. Its IUPAC name is 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID118065849
Molecular FormulaC166H115N7
Molecular Weight2207.79 g/mol
Exact Mass2205.92
IUPAC Name9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5cn(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)nn5)cc4)c(-c4ccc(-c5cc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc(-n6c7ccc(C)cc7c7cc(C)ccc76)c5)cc4)c4c5cccc6c7c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c7c7cccc(c34)c7c65)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C166H115N7/c1-100-53-73-145-136(81-100)137-82-101(2)54-74-146(137)170(145)128-93-125(94-129(97-128)171-147-75-55-102(3)83-138(147)139-84-103(4)56-76-148(139)171)110-61-67-119(68-62-110)159-155(115-41-24-13-25-42-115)156(118-71-65-112(66-72-118)144-99-169(168-167-144)127-48-30-47-121(92-127)124-90-122(108-33-16-9-17-34-108)89-123(91-124)109-35-18-10-19-36-109)160(120-69-63-111(64-70-120)126-95-130(172-149-77-57-104(5)85-140(149)141-86-105(6)58-78-150(141)172)98-131(96-126)173-151-79-59-106(7)87-142(151)143-88-107(8)60-80-152(143)173)166-135-52-32-50-133-162(135)161-132(49-31-51-134(161)165(159)166)163-157(116-43-26-14-27-44-116)153(113-37-20-11-21-38-113)154(114-39-22-12-23-40-114)158(164(133)163)117-45-28-15-29-46-117/h9-99H,1-8H3
InChIKeyCCGYHZZZIMWOQQ-UHFFFAOYSA-N
XLogP44.66
TPSA50.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002207.79
LogP ≤ 544.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole (CID 118065849) is 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5cn(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)nn5)cc4)c(-c4ccc(-c5cc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc(-n6c7ccc(C)cc7c7cc(C)ccc76)c5)cc4)c4c5cccc6c7c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccccc8)c7c7cccc(c34)c7c65)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.
What is the InChIKey of 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is CCGYHZZZIMWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H115N7/c1-100-53-73-145-136(81-100)137-82-101(2)54-74-146(137)170(145)128-93-125(94-129(97-128)171-147-75-55-102(3)83-138(147)139-84-103(4)56-76-148(139)171)110-61-67-119(68-62-110)159-155(115-41-24-13-25-42-115)156(118-71-65-112(66-72-118)144-99-169(168-167-144)127-48-30-47-121(92-127)124-90-122(108-33-16-9-17-34-108)89-123(91-124)109-35-18-10-19-36-109)160(120-69-63-111(64-70-120)126-95-130(172-149-77-57-104(5)85-140(149)141-86-105(6)58-78-150(141)172)98-131(96-126)173-151-79-59-106(7)87-142(151)143-88-107(8)60-80-152(143)173)166-135-52-32-50-133-162(135)161-132(49-31-51-134(161)165(159)166)163-157(116-43-26-14-27-44-116)153(113-37-20-11-21-38-113)154(114-39-22-12-23-40-114)158(164(133)163)117-45-28-15-29-46-117/h9-99H,1-8H3.
What are the key properties of 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole?
9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 2207.79 g/mol, XLogP of 44.66, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[6-[4-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-[4-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]-5,14,15,16,17-pentakis-phenyl-3-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-5-(3,6-dimethylcarbazol-9-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 118065849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).