9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole

C38H32N2 — CID 144740109

IUPAC9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(c3c(n2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CC(C)C3)C1
InChIInChI=1S/C38H32N2/c1-25-11-21-37-33(23-25)34-24-26(2)12-22-38(34)40(37)30-19-15-28(16-20-30)27-13-17-29(18-14-27)39-35-9-5-3-7-31(35)32-8-4-6-10-36(32)39/h3-22,25-26H,23-24H2,1-2H3
InChIKeyBUCDLFPQXKOJJZ-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.65
Rot. Bonds3

About 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole

9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 144740109) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID144740109
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(c3c(n2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CC(C)C3)C1
InChIInChI=1S/C38H32N2/c1-25-11-21-37-33(23-25)34-24-26(2)12-22-38(34)40(37)30-19-15-28(16-20-30)27-13-17-29(18-14-27)39-35-9-5-3-7-31(35)32-8-4-6-10-36(32)39/h3-22,25-26H,23-24H2,1-2H3
InChIKeyBUCDLFPQXKOJJZ-UHFFFAOYSA-N
XLogP9.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163788880
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118686849
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole (CID 144740109) is 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole is CC1C=Cc2c(c3c(n2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CC(C)C3)C1.
What is the InChIKey of 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is BUCDLFPQXKOJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-25-11-21-37-33(23-25)34-24-26(2)12-22-38(34)40(37)30-19-15-28(16-20-30)27-13-17-29(18-14-27)39-35-9-5-3-7-31(35)32-8-4-6-10-36(32)39/h3-22,25-26H,23-24H2,1-2H3.
What are the key properties of 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole?
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 516.69 g/mol, XLogP of 9.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 144740109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).