9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole

C48H38N2 — CID 142352784

IUPAC9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c3c(n(-c4ccc(-c5ccccc5)cc4)c2CC1)C=CCC3c1cccc2c1c1c(n2-c2ccc(-c3ccccc3)cc2)CCC=C1
InChIInChI=1S/C48H38N2/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)49-43-21-9-7-17-41(43)47-39(19-11-23-45(47)49)40-20-12-24-46-48(40)42-18-8-10-22-44(42)50(46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-8,11-19,23-32,40H,9-10,20-22H2
InChIKeySWXIUEQNOYGHIK-UHFFFAOYSA-N
MW642.85 g/mol
LogP12.22
Rot. Bonds5

About 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole

9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole (PubChem CID 142352784) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
PubChem CID142352784
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c3c(n(-c4ccc(-c5ccccc5)cc4)c2CC1)C=CCC3c1cccc2c1c1c(n2-c2ccc(-c3ccccc3)cc2)CCC=C1
InChIInChI=1S/C48H38N2/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)49-43-21-9-7-17-41(43)47-39(19-11-23-45(47)49)40-20-12-24-46-48(40)42-18-8-10-22-44(42)50(46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-8,11-19,23-32,40H,9-10,20-22H2
InChIKeySWXIUEQNOYGHIK-UHFFFAOYSA-N
XLogP12.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143437997
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
CID 163672751
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole (CID 142352784) is 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole is C1=Cc2c3c(n(-c4ccc(-c5ccccc5)cc4)c2CC1)C=CCC3c1cccc2c1c1c(n2-c2ccc(-c3ccccc3)cc2)CCC=C1.
What is the InChIKey of 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole?
The InChIKey is SWXIUEQNOYGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-3-13-33(14-4-1)35-25-29-37(30-26-35)49-43-21-9-7-17-41(43)47-39(19-11-23-45(47)49)40-20-12-24-46-48(40)42-18-8-10-22-44(42)50(46)38-31-27-36(28-32-38)34-15-5-2-6-16-34/h1-8,11-19,23-32,40H,9-10,20-22H2.
What are the key properties of 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole?
9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole has a molecular weight of 642.85 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 142352784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).