9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole

C49H34N2O — CID 155237382

IUPAC9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
SMILESC1=CC2c3cc(Cc4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C49H34N2O/c1-2-11-35(12-3-1)50-44-18-7-4-13-38(44)42-30-32(21-27-46(42)50)29-33-22-28-47-43(31-33)39-14-5-8-19-45(39)51(47)36-25-23-34(24-26-36)37-16-10-17-41-40-15-6-9-20-48(40)52-49(37)41/h1-28,30-31,38,44H,29H2
InChIKeyIVAQSYRXLQVZFW-UHFFFAOYSA-N
MW666.82 g/mol
LogP12.67
Rot. Bonds5

About 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole

9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole (PubChem CID 155237382) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
PubChem CID155237382
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
SMILESC1=CC2c3cc(Cc4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C49H34N2O/c1-2-11-35(12-3-1)50-44-18-7-4-13-38(44)42-30-32(21-27-46(42)50)29-33-22-28-47-43(31-33)39-14-5-8-19-45(39)51(47)36-25-23-34(24-26-36)37-16-10-17-41-40-15-6-9-20-48(40)52-49(37)41/h1-28,30-31,38,44H,29H2
InChIKeyIVAQSYRXLQVZFW-UHFFFAOYSA-N
XLogP12.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]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-benzyl-6-(6-benzyl-9-carbazol-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 160862721
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
7-N-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-2-N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-N,7-N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 88849098

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole (CID 155237382) is 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole is C1=CC2c3cc(Cc4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole?
The InChIKey is IVAQSYRXLQVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-2-11-35(12-3-1)50-44-18-7-4-13-38(44)42-30-32(21-27-46(42)50)29-33-22-28-47-43(31-33)39-14-5-8-19-45(39)51(47)36-25-23-34(24-26-36)37-16-10-17-41-40-15-6-9-20-48(40)52-49(37)41/h1-28,30-31,38,44H,29H2.
What are the key properties of 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole?
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole has a molecular weight of 666.82 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole is sourced from PubChem (CID 155237382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).