3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole

C44H33N3 — CID 163612066

IUPAC3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole
SMILESCc1cccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C3(C)C=C(n4c5ccccc5c5ccccc54)C=CC23)c1
InChIInChI=1S/C44H33N3/c1-29-12-11-13-30(26-29)47-42-24-22-31(45-38-18-7-3-14-33(38)34-15-4-8-19-39(34)45)27-37(42)44(2)28-32(23-25-43(44)47)46-40-20-9-5-16-35(40)36-17-6-10-21-41(36)46/h3-28,43H,1-2H3
InChIKeyHGTWQUNIJYFCNM-UHFFFAOYSA-N
MW603.77 g/mol
LogP11.09
Rot. Bonds3

About 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole

3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole (PubChem CID 163612066) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole
PubChem CID163612066
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole
SMILESCc1cccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C3(C)C=C(n4c5ccccc5c5ccccc54)C=CC23)c1
InChIInChI=1S/C44H33N3/c1-29-12-11-13-30(26-29)47-42-24-22-31(45-38-18-7-3-14-33(38)34-15-4-8-19-39(34)45)27-37(42)44(2)28-32(23-25-43(44)47)46-40-20-9-5-16-35(40)36-17-6-10-21-41(36)46/h3-28,43H,1-2H3
InChIKeyHGTWQUNIJYFCNM-UHFFFAOYSA-N
XLogP11.09
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 165037523
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
CID 163507706
9-[3-(4b-methyl-8aH-carbazol-9-yl)-5-carbazol-9-ylphenyl]carbazole
CID 91518473
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole (CID 163612066) is 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole is Cc1cccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C3(C)C=C(n4c5ccccc5c5ccccc54)C=CC23)c1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole?
The InChIKey is HGTWQUNIJYFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-29-12-11-13-30(26-29)47-42-24-22-31(45-38-18-7-3-14-33(38)34-15-4-8-19-39(34)45)27-37(42)44(2)28-32(23-25-43(44)47)46-40-20-9-5-16-35(40)36-17-6-10-21-41(36)46/h3-28,43H,1-2H3.
What are the key properties of 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole?
3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole has a molecular weight of 603.77 g/mol, XLogP of 11.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole is sourced from PubChem (CID 163612066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).