2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole

C39H29N — CID 121465195

IUPAC2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
SMILESCn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2ccc(-c3ccc(Cc4ccccc4)cc3)cc21
InChIInChI=1S/C39H29N/c1-40-38-20-17-30(29-15-18-35-33(22-29)23-32-9-5-6-10-34(32)35)24-37(38)36-19-16-31(25-39(36)40)28-13-11-27(12-14-28)21-26-7-3-2-4-8-26/h2-20,22,24-25H,21,23H2,1H3
InChIKeyVXBKMRGJEIIFOU-UHFFFAOYSA-N
MW511.67 g/mol
LogP9.83
Rot. Bonds4

About 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole

2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole (PubChem CID 121465195) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole.

Molecular Properties

Compound Name2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
PubChem CID121465195
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC Name2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
SMILESCn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2ccc(-c3ccc(Cc4ccccc4)cc3)cc21
InChIInChI=1S/C39H29N/c1-40-38-20-17-30(29-15-18-35-33(22-29)23-32-9-5-6-10-34(32)35)24-37(38)36-19-16-31(25-39(36)40)28-13-11-27(12-14-28)21-26-7-3-2-4-8-26/h2-20,22,24-25H,21,23H2,1H3
InChIKeyVXBKMRGJEIIFOU-UHFFFAOYSA-N
XLogP9.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole?
The IUPAC name of 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole (CID 121465195) is 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole.
What is the SMILES notation for 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole?
The canonical SMILES for 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole is Cn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2ccc(-c3ccc(Cc4ccccc4)cc3)cc21.
What is the InChIKey of 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole?
The InChIKey is VXBKMRGJEIIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-40-38-20-17-30(29-15-18-35-33(22-29)23-32-9-5-6-10-34(32)35)24-37(38)36-19-16-31(25-39(36)40)28-13-11-27(12-14-28)21-26-7-3-2-4-8-26/h2-20,22,24-25H,21,23H2,1H3.
What are the key properties of 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole?
2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole has a molecular weight of 511.67 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole is sourced from PubChem (CID 121465195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).