9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole

C42H34N2 — CID 135167845

IUPAC9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cc4ccc3CCc3ccc(c(-c5ccc6c(c5)c5ccccc5n6C)c3)CC4)ccc21
InChIInChI=1S/C42H34N2/c1-43-39-9-5-3-7-33(39)37-25-31(19-21-41(37)43)35-23-27-11-15-29(35)17-13-28-12-16-30(18-14-27)36(24-28)32-20-22-42-38(26-32)34-8-4-6-10-40(34)44(42)2/h3-12,15-16,19-26H,13-14,17-18H2,1-2H3
InChIKeyHCFHXXVKIDBGNN-UHFFFAOYSA-N
MW566.75 g/mol
LogP10.19
Rot. Bonds2

About 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole

9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole (PubChem CID 135167845) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
PubChem CID135167845
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cc4ccc3CCc3ccc(c(-c5ccc6c(c5)c5ccccc5n6C)c3)CC4)ccc21
InChIInChI=1S/C42H34N2/c1-43-39-9-5-3-7-33(39)37-25-31(19-21-41(37)43)35-23-27-11-15-29(35)17-13-28-12-16-30(18-14-27)36(24-28)32-20-22-42-38(26-32)34-8-4-6-10-40(34)44(42)2/h3-12,15-16,19-26H,13-14,17-18H2,1-2H3
InChIKeyHCFHXXVKIDBGNN-UHFFFAOYSA-N
XLogP10.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
CID 169408875
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CID 157228450
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
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CID 159710949
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CID 121381891
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
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CID 144884258
9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The IUPAC name of 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole (CID 135167845) is 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The canonical SMILES for 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole is Cn1c2ccccc2c2cc(-c3cc4ccc3CCc3ccc(c(-c5ccc6c(c5)c5ccccc5n6C)c3)CC4)ccc21.
What is the InChIKey of 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The InChIKey is HCFHXXVKIDBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-43-39-9-5-3-7-33(39)37-25-31(19-21-41(37)43)35-23-27-11-15-29(35)17-13-28-12-16-30(18-14-27)36(24-28)32-20-22-42-38(26-32)34-8-4-6-10-40(34)44(42)2/h3-12,15-16,19-26H,13-14,17-18H2,1-2H3.
What are the key properties of 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole has a molecular weight of 566.75 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole is sourced from PubChem (CID 135167845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).