5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole

C44H35N — CID 170259879

IUPAC5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C44H35N/c1-43(2)38-19-11-9-16-33(38)34-22-21-30(26-39(34)44(43,3)4)31-23-24-41(35-17-8-7-15-32(31)35)45-40-20-12-10-18-36(40)37-25-28-13-5-6-14-29(28)27-42(37)45/h5-27H,1-4H3
InChIKeyPPGCFECFNQHJEM-UHFFFAOYSA-N
MW577.77 g/mol
LogP11.99
Rot. Bonds2

About 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole

5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 170259879) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID170259879
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C44H35N/c1-43(2)38-19-11-9-16-33(38)34-22-21-30(26-39(34)44(43,3)4)31-23-24-41(35-17-8-7-15-32(31)35)45-40-20-12-10-18-36(40)37-25-28-13-5-6-14-29(28)27-42(37)45/h5-27H,1-4H3
InChIKeyPPGCFECFNQHJEM-UHFFFAOYSA-N
XLogP11.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]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

5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236548
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146392145
1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146542508
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
3-(9,9-dimethylfluoren-2-yl)-9,10-dimethyl-8-(4-naphthalen-2-ylnaphthalen-1-yl)naphtho[1,2-f]indole
CID 58175245
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
CID 170259796
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 170259879) is 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)cc2C1(C)C.
What is the InChIKey of 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is PPGCFECFNQHJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-43(2)38-19-11-9-16-33(38)34-22-21-30(26-39(34)44(43,3)4)31-23-24-41(35-17-8-7-15-32(31)35)45-40-20-12-10-18-36(40)37-25-28-13-5-6-14-29(28)27-42(37)45/h5-27H,1-4H3.
What are the key properties of 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 577.77 g/mol, XLogP of 11.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 170259879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).