3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole

C43H29N — CID 170253658

IUPAC3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C43H29N/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-41-18-10-9-16-36(41)40-28-33(22-26-42(40)44)32-21-25-38-39(27-32)35-15-7-8-17-37(35)43(38)31-13-5-2-6-14-31/h1-28,43H
InChIKeyPYCKMHRGHXPMEP-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.28
Rot. Bonds4

About 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole

3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 170253658) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID170253658
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C43H29N/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-41-18-10-9-16-36(41)40-28-33(22-26-42(40)44)32-21-25-38-39(27-32)35-15-7-8-17-37(35)43(38)31-13-5-2-6-14-31/h1-28,43H
InChIKeyPYCKMHRGHXPMEP-UHFFFAOYSA-N
XLogP11.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole (CID 170253658) is 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is PYCKMHRGHXPMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-41-18-10-9-16-36(41)40-28-33(22-26-42(40)44)32-21-25-38-39(27-32)35-15-7-8-17-37(35)43(38)31-13-5-2-6-14-31/h1-28,43H.
What are the key properties of 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole?
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 559.71 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170253658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).