1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole

C54H36N2 — CID 166037080

IUPAC1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4)c4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-17-37(18-5-1)39-31-34-52-48(36-39)46-26-11-14-29-50(46)56(52)49-28-13-10-25-43(49)40-21-16-22-41(35-40)44-32-33-45(38-19-6-2-7-20-38)54-53(44)47-27-12-15-30-51(47)55(54)42-23-8-3-9-24-42/h1-36H
InChIKeyNQTVVJDDNMMNFN-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole

1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 166037080) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID166037080
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4)c4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-17-37(18-5-1)39-31-34-52-48(36-39)46-26-11-14-29-50(46)56(52)49-28-13-10-25-43(49)40-21-16-22-41(35-40)44-32-33-45(38-19-6-2-7-20-38)54-53(44)47-27-12-15-30-51(47)55(54)42-23-8-3-9-24-42/h1-36H
InChIKeyNQTVVJDDNMMNFN-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

3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 158100286
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole
CID 176831500
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 158217203

Frequently Asked Questions

What is the IUPAC name of 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 166037080) is 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4)c4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is NQTVVJDDNMMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-17-37(18-5-1)39-31-34-52-48(36-39)46-26-11-14-29-50(46)56(52)49-28-13-10-25-43(49)40-21-16-22-41(35-40)44-32-33-45(38-19-6-2-7-20-38)54-53(44)47-27-12-15-30-51(47)55(54)42-23-8-3-9-24-42/h1-36H.
What are the key properties of 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole?
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-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 1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166037080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).