3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole

C43H27N5 — CID 135194976

IUPAC3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)ccc32)cc1
InChIInChI=1S/C43H27N5/c1-2-12-28(13-3-1)42-43(46-36-17-7-6-16-35(36)45-42)48-38-19-9-5-15-32(38)34-27-30(22-24-40(34)48)29-21-23-39-33(26-29)31-14-4-8-18-37(31)47(39)41-20-10-11-25-44-41/h1-27H
InChIKeyLRBMZACWJYBPRB-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.55
Rot. Bonds4

About 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole

3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole (PubChem CID 135194976) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
PubChem CID135194976
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)ccc32)cc1
InChIInChI=1S/C43H27N5/c1-2-12-28(13-3-1)42-43(46-36-17-7-6-16-35(36)45-42)48-38-19-9-5-15-32(38)34-27-30(22-24-40(34)48)29-21-23-39-33(26-29)31-14-4-8-18-37(31)47(39)41-20-10-11-25-44-41/h1-27H
InChIKeyLRBMZACWJYBPRB-UHFFFAOYSA-N
XLogP10.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 158104834
3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159191973
16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322662
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
CID 161396735

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole (CID 135194976) is 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)ccc32)cc1.
What is the InChIKey of 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole?
The InChIKey is LRBMZACWJYBPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-2-12-28(13-3-1)42-43(46-36-17-7-6-16-35(36)45-42)48-38-19-9-5-15-32(38)34-27-30(22-24-40(34)48)29-21-23-39-33(26-29)31-14-4-8-18-37(31)47(39)41-20-10-11-25-44-41/h1-27H.
What are the key properties of 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole?
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 613.72 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 135194976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).