3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole

C46H35N — CID 169131711

IUPAC3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
SMILESCC1c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc2CC1c1ccccc1
InChIInChI=1S/C46H35N/c1-31-39-19-8-9-20-40(39)43-28-35(23-24-37(43)30-42(31)33-15-6-3-7-16-33)36-25-26-46-44(29-36)41-21-10-11-22-45(41)47(46)38-18-12-17-34(27-38)32-13-4-2-5-14-32/h2-29,31,42H,30H2,1H3
InChIKeyPMSRPFCWXXUZBF-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.23
Rot. Bonds4

About 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole

3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole (PubChem CID 169131711) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
PubChem CID169131711
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
SMILESCC1c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc2CC1c1ccccc1
InChIInChI=1S/C46H35N/c1-31-39-19-8-9-20-40(39)43-28-35(23-24-37(43)30-42(31)33-15-6-3-7-16-33)36-25-26-46-44(29-36)41-21-10-11-22-45(41)47(46)38-18-12-17-34(27-38)32-13-4-2-5-14-32/h2-29,31,42H,30H2,1H3
InChIKeyPMSRPFCWXXUZBF-UHFFFAOYSA-N
XLogP12.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)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-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 170078460
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 146395767
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377

Frequently Asked Questions

What is the IUPAC name of 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole (CID 169131711) is 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole is CC1c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc2CC1c1ccccc1.
What is the InChIKey of 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole?
The InChIKey is PMSRPFCWXXUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-31-39-19-8-9-20-40(39)43-28-35(23-24-37(43)30-42(31)33-15-6-3-7-16-33)36-25-26-46-44(29-36)41-21-10-11-22-45(41)47(46)38-18-12-17-34(27-38)32-13-4-2-5-14-32/h2-29,31,42H,30H2,1H3.
What are the key properties of 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole?
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole has a molecular weight of 601.79 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 169131711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).