6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine

C40H28N2 — CID 121337153

IUPAC6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C40H28N2/c1-40(2)34-16-8-5-12-28(34)29-21-20-26(24-35(29)40)42-37-18-10-7-14-31(37)33-23-25(19-22-38(33)42)39-32-15-4-3-11-27(32)30-13-6-9-17-36(30)41-39/h3-24H,1-2H3
InChIKeyIGBCZKIXPVJHFR-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.46
Rot. Bonds2

About 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine

6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine (PubChem CID 121337153) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine.

Molecular Properties

Compound Name6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
PubChem CID121337153
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C40H28N2/c1-40(2)34-16-8-5-12-28(34)29-21-20-26(24-35(29)40)42-37-18-10-7-14-31(37)33-23-25(19-22-38(33)42)39-32-15-4-3-11-27(32)30-13-6-9-17-36(30)41-39/h3-24H,1-2H3
InChIKeyIGBCZKIXPVJHFR-UHFFFAOYSA-N
XLogP10.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine 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-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
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
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-2-phenanthridin-6-ylindeno[2,1-b]carbazole
CID 121337578
9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 159685688
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348

Frequently Asked Questions

What is the IUPAC name of 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine?
The IUPAC name of 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine (CID 121337153) is 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine.
What is the SMILES notation for 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine?
The canonical SMILES for 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6c6ccccc56)ccc43)cc21.
What is the InChIKey of 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine?
The InChIKey is IGBCZKIXPVJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-40(2)34-16-8-5-12-28(34)29-21-20-26(24-35(29)40)42-37-18-10-7-14-31(37)33-23-25(19-22-38(33)42)39-32-15-4-3-11-27(32)30-13-6-9-17-36(30)41-39/h3-24H,1-2H3.
What are the key properties of 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine?
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine has a molecular weight of 536.68 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine is sourced from PubChem (CID 121337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).