3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

C55H36N2 — CID 146334259

IUPAC3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESC1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C55H36N2/c1-2-15-37(16-3-1)56-49-26-12-7-19-40(49)43-33-35(29-31-51(43)56)36-30-32-52-44(34-36)41-20-8-13-27-50(41)57(52)53-28-14-25-48-54(53)42-21-6-11-24-47(42)55(48)45-22-9-4-17-38(45)39-18-5-10-23-46(39)55/h1-6,8-18,20-34H,7,19H2
InChIKeyGRUCBQZVECLUCY-UHFFFAOYSA-N
MW724.91 g/mol
LogP13.70
Rot. Bonds3

About 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (PubChem CID 146334259) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
PubChem CID146334259
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESC1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C55H36N2/c1-2-15-37(16-3-1)56-49-26-12-7-19-40(49)43-33-35(29-31-51(43)56)36-30-32-52-44(34-36)41-20-8-13-27-50(41)57(52)53-28-14-25-48-54(53)42-21-6-11-24-47(42)55(48)45-22-9-4-17-38(45)39-18-5-10-23-46(39)55/h1-6,8-18,20-34H,7,19H2
InChIKeyGRUCBQZVECLUCY-UHFFFAOYSA-N
XLogP13.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)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-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
CID 158608032
CID 158608032
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
3-[2-methyl-1-phenyl-3-[(1E)-2-phenylbuta-1,3-dienyl]indol-5-yl]-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 175625131
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The IUPAC name of 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (CID 146334259) is 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.
What is the SMILES notation for 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The canonical SMILES for 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3n2-c2ccccc2)CC1.
What is the InChIKey of 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The InChIKey is GRUCBQZVECLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-2-15-37(16-3-1)56-49-26-12-7-19-40(49)43-33-35(29-31-51(43)56)36-30-32-52-44(34-36)41-20-8-13-27-50(41)57(52)53-28-14-25-48-54(53)42-21-6-11-24-47(42)55(48)45-22-9-4-17-38(45)39-18-5-10-23-46(39)55/h1-6,8-18,20-34H,7,19H2.
What are the key properties of 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole has a molecular weight of 724.91 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is sourced from PubChem (CID 146334259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).