3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole

C51H32N2 — CID 118316102

IUPAC3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C51H32N2/c1-2-12-35(13-3-1)52-31-30-43-48(52)29-28-42-41-17-7-11-21-49(41)53(50(42)43)36-25-22-33(23-26-36)34-24-27-40-39-16-6-10-20-46(39)51(47(40)32-34)44-18-8-4-14-37(44)38-15-5-9-19-45(38)51/h1-32H
InChIKeyFOEMWYPZGSBELI-UHFFFAOYSA-N
MW672.83 g/mol
LogP12.74
Rot. Bonds3

About 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole

3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 118316102) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
PubChem CID118316102
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C51H32N2/c1-2-12-35(13-3-1)52-31-30-43-48(52)29-28-42-41-17-7-11-21-49(41)53(50(42)43)36-25-22-33(23-26-36)34-24-27-40-39-16-6-10-20-46(39)51(47(40)32-34)44-18-8-4-14-37(44)38-15-5-9-19-45(38)51/h1-32H
InChIKeyFOEMWYPZGSBELI-UHFFFAOYSA-N
XLogP12.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole
CID 161056569
N-[4-(14,19-diphenyl-3,14,19-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90267330
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118316130
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123326933
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole (CID 118316102) is 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1.
What is the InChIKey of 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The InChIKey is FOEMWYPZGSBELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-2-12-35(13-3-1)52-31-30-43-48(52)29-28-42-41-17-7-11-21-49(41)53(50(42)43)36-25-22-33(23-26-36)34-24-27-40-39-16-6-10-20-46(39)51(47(40)32-34)44-18-8-4-14-37(44)38-15-5-9-19-45(38)51/h1-32H.
What are the key properties of 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 672.83 g/mol, XLogP of 12.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118316102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).