9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole

C36H32N2 — CID 58883537

IUPAC9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2Cc1ccc(Cn2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C36H32N2/c1-23-5-13-33-29(17-23)30-18-24(2)6-14-34(30)37(33)21-27-9-11-28(12-10-27)22-38-35-15-7-25(3)19-31(35)32-20-26(4)8-16-36(32)38/h5-20H,21-22H2,1-4H3
InChIKeyNVNWVLDGYCTNCZ-UHFFFAOYSA-N
MW492.67 g/mol
LogP9.23
Rot. Bonds4

About 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole

9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole (PubChem CID 58883537) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
PubChem CID58883537
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2Cc1ccc(Cn2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C36H32N2/c1-23-5-13-33-29(17-23)30-18-24(2)6-14-34(30)37(33)21-27-9-11-28(12-10-27)22-38-35-15-7-25(3)19-31(35)32-20-26(4)8-16-36(32)38/h5-20H,21-22H2,1-4H3
InChIKeyNVNWVLDGYCTNCZ-UHFFFAOYSA-N
XLogP9.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole (CID 58883537) is 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2Cc1ccc(Cn2c3ccc(C)cc3c3cc(C)ccc32)cc1.
What is the InChIKey of 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole?
The InChIKey is NVNWVLDGYCTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-23-5-13-33-29(17-23)30-18-24(2)6-14-34(30)37(33)21-27-9-11-28(12-10-27)22-38-35-15-7-25(3)19-31(35)32-20-26(4)8-16-36(32)38/h5-20H,21-22H2,1-4H3.
What are the key properties of 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole?
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole has a molecular weight of 492.67 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 58883537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).