3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

C42H27N3 — CID 130350871

IUPAC3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc(-c7ccccc7)cc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-35-15-7-9-17-37(35)43-42(44-41)45-38-18-10-8-16-36(38)40-34-25-23-32(29-13-5-2-6-14-29)27-33(34)24-26-39(40)45/h1-27H
InChIKeyHYHPOPSPPXHTQD-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds4

About 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 130350871) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID130350871
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc(-c7ccccc7)cc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-35-15-7-9-17-37(35)43-42(44-41)45-38-18-10-8-16-36(38)40-34-25-23-32(29-13-5-2-6-14-29)27-33(34)24-26-39(40)45/h1-27H
InChIKeyHYHPOPSPPXHTQD-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
9-[4-[2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)quinazolin-4-yl]phenyl]-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154986284
22-[4-(3-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597929
12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535711
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
12-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535672
6-phenyl-23-(4-phenylquinazolin-2-yl)-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171044213

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 130350871) is 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc(-c7ccccc7)cc6ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is HYHPOPSPPXHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-35-15-7-9-17-37(35)43-42(44-41)45-38-18-10-8-16-36(38)40-34-25-23-32(29-13-5-2-6-14-29)27-33(34)24-26-39(40)45/h1-27H.
What are the key properties of 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 573.70 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 130350871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).