9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole

C54H36N2 — CID 71127197

IUPAC9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-36H
InChIKeyRUEWIWDVZVJFDX-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole

9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole (PubChem CID 71127197) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
PubChem CID71127197
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-36H
InChIKeyRUEWIWDVZVJFDX-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
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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
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole (CID 71127197) is 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole?
The InChIKey is RUEWIWDVZVJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-36H.
What are the key properties of 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole?
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 71127197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).