9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole

C48H34N2 — CID 123902449

IUPAC9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3n2-c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C48H34N2/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)40-17-11-16-36(30-40)34-14-5-2-6-15-34/h1-6,8-17,19-32H,7,18H2
InChIKeyWQKNWBCPBWAXOP-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.69
Rot. Bonds5

About 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole

9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole (PubChem CID 123902449) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
PubChem CID123902449
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3n2-c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C48H34N2/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)40-17-11-16-36(30-40)34-14-5-2-6-15-34/h1-6,8-17,19-32H,7,18H2
InChIKeyWQKNWBCPBWAXOP-UHFFFAOYSA-N
XLogP12.69
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 ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 166922681
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole?
The IUPAC name of 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole (CID 123902449) is 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole.
What is the SMILES notation for 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole?
The canonical SMILES for 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole is C1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3n2-c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole?
The InChIKey is WQKNWBCPBWAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)40-17-11-16-36(30-40)34-14-5-2-6-15-34/h1-6,8-17,19-32H,7,18H2.
What are the key properties of 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole?
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole has a molecular weight of 638.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole is sourced from PubChem (CID 123902449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).