1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole

C48H34N2 — CID 174277781

IUPAC1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
SMILESC1=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)=CCC1c1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-24,26-32,36H,25H2
InChIKeyORRUSQWYPQAWBP-UHFFFAOYSA-N
MW638.81 g/mol
LogP10.81
Rot. Bonds5

About 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole

1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole (PubChem CID 174277781) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
PubChem CID174277781
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
SMILESC1=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)=CCC1c1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-24,26-32,36H,25H2
InChIKeyORRUSQWYPQAWBP-UHFFFAOYSA-N
XLogP10.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 166952379
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
N-phenyl-N-[4-[9-phenyl-1-[4-(9-phenyl-2,3-dihydrocarbazol-3-yl)phenyl]carbazol-3-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 145060242
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
CID 123309250
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011797
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744

Frequently Asked Questions

What is the IUPAC name of 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole (CID 174277781) is 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole is C1=c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)=CCC1c1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
The InChIKey is ORRUSQWYPQAWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-24,26-32,36H,25H2.
What are the key properties of 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole?
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole has a molecular weight of 638.81 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 174277781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).