1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole

C40H26N4 — CID 118317506

IUPAC1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)ccn5-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C40H26N4/c1-4-12-27(13-5-1)38-32-18-10-11-19-34(32)41-40(42-38)29-21-22-35-33(26-29)37-36(44(35)31-16-8-3-9-17-31)23-20-28-24-25-43(39(28)37)30-14-6-2-7-15-30/h1-26H
InChIKeyLOKFANCAWMMDSO-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole

1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole (PubChem CID 118317506) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
PubChem CID118317506
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)ccn5-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C40H26N4/c1-4-12-27(13-5-1)38-32-18-10-11-19-34(32)41-40(42-38)29-21-22-35-33(26-29)37-36(44(35)31-16-8-3-9-17-31)23-20-28-24-25-43(39(28)37)30-14-6-2-7-15-30/h1-26H
InChIKeyLOKFANCAWMMDSO-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
6-(3,5-diphenylphenyl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160793015
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
CID 90223081
14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 144645631
12-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]-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 129149674
1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
CID 118317377

Frequently Asked Questions

What is the IUPAC name of 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole?
The IUPAC name of 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole (CID 118317506) is 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole?
The canonical SMILES for 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)ccn5-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole?
The InChIKey is LOKFANCAWMMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-4-12-27(13-5-1)38-32-18-10-11-19-34(32)41-40(42-38)29-21-22-35-33(26-29)37-36(44(35)31-16-8-3-9-17-31)23-20-28-24-25-43(39(28)37)30-14-6-2-7-15-30/h1-26H.
What are the key properties of 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole?
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 118317506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).