3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole

C45H29N3 — CID 164797310

IUPAC3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6cccnc56)ccc43)cc2)cc1
InChIInChI=1S/C45H29N3/c1-2-10-30(11-3-1)31-19-23-35(24-20-31)47-40-16-6-4-14-36(40)38-28-33(21-25-42(38)47)34-22-26-43-39(29-34)37-15-5-7-17-41(37)48(43)44-18-8-12-32-13-9-27-46-45(32)44/h1-29H
InChIKeyMVCFIPVIZBLBDH-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole (PubChem CID 164797310) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
PubChem CID164797310
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6cccnc56)ccc43)cc2)cc1
InChIInChI=1S/C45H29N3/c1-2-10-30(11-3-1)31-19-23-35(24-20-31)47-40-16-6-4-14-36(40)38-28-33(21-25-42(38)47)34-22-26-43-39(29-34)37-15-5-7-17-41(37)48(43)44-18-8-12-32-13-9-27-46-45(32)44/h1-29H
InChIKeyMVCFIPVIZBLBDH-UHFFFAOYSA-N
XLogP11.76
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile
CID 118152689

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole (CID 164797310) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6cccnc56)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole?
The InChIKey is MVCFIPVIZBLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-10-30(11-3-1)31-19-23-35(24-20-31)47-40-16-6-4-14-36(40)38-28-33(21-25-42(38)47)34-22-26-43-39(29-34)37-15-5-7-17-41(37)48(43)44-18-8-12-32-13-9-27-46-45(32)44/h1-29H.
What are the key properties of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole?
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole has a molecular weight of 611.75 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole is sourced from PubChem (CID 164797310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).