9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole

C55H37N — CID 118475067

IUPAC9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C55H37N/c1-55(2)51-22-12-11-21-45(51)46-26-25-38(33-52(46)55)56-53-27-23-36(47-29-34-13-3-5-15-39(34)41-17-7-9-19-43(41)47)31-49(53)50-32-37(24-28-54(50)56)48-30-35-14-4-6-16-40(35)42-18-8-10-20-44(42)48/h3-33H,1-2H3
InChIKeyUWKYICSUBJJSTO-UHFFFAOYSA-N
MW711.91 g/mol
LogP15.04
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole

9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole (PubChem CID 118475067) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
PubChem CID118475067
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C55H37N/c1-55(2)51-22-12-11-21-45(51)46-26-25-38(33-52(46)55)56-53-27-23-36(47-29-34-13-3-5-15-39(34)41-17-7-9-19-43(41)47)31-49(53)50-32-37(24-28-54(50)56)48-30-35-14-4-6-16-40(35)42-18-8-10-20-44(42)48/h3-33H,1-2H3
InChIKeyUWKYICSUBJJSTO-UHFFFAOYSA-N
XLogP15.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-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

9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
CID 129174075
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole (CID 118475067) is 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole?
The InChIKey is UWKYICSUBJJSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-55(2)51-22-12-11-21-45(51)46-26-25-38(33-52(46)55)56-53-27-23-36(47-29-34-13-3-5-15-39(34)41-17-7-9-19-43(41)47)31-49(53)50-32-37(24-28-54(50)56)48-30-35-14-4-6-16-40(35)42-18-8-10-20-44(42)48/h3-33H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole?
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole has a molecular weight of 711.91 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole is sourced from PubChem (CID 118475067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).