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

C42H27N3 — CID 90215710

IUPAC9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-32(22-20-30)41-35-17-9-10-18-37(35)43-42(44-41)45-38-26-24-31-15-7-8-16-34(31)40(38)36-25-23-33(27-39(36)45)29-13-5-2-6-14-29/h1-27H
InChIKeyZKRBHZWZKFZSTD-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds4

About 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 90215710) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID90215710
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-32(22-20-30)41-35-17-9-10-18-37(35)43-42(44-41)45-38-26-24-31-15-7-8-16-34(31)40(38)36-25-23-33(27-39(36)45)29-13-5-2-6-14-29/h1-27H
InChIKeyZKRBHZWZKFZSTD-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

3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
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
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
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
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
12-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361469
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
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
22-[4-(9-phenylcarbazol-2-yl)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 154597887

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 90215710) is 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is ZKRBHZWZKFZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-11-28(12-4-1)30-19-21-32(22-20-30)41-35-17-9-10-18-37(35)43-42(44-41)45-38-26-24-31-15-7-8-16-34(31)40(38)36-25-23-33(27-39(36)45)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
9-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 9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 90215710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).