2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole

C46H30N4 — CID 118317678

IUPAC2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3cc5c(cc(-c6ccccc6)n5-c5ccccc5)cc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C46H30N4/c1-5-15-31(16-6-1)42-28-34-29-44-39(30-43(34)50(42)36-21-11-4-12-22-36)38-27-33(25-26-41(38)49(44)35-19-9-3-10-20-35)46-47-40-24-14-13-23-37(40)45(48-46)32-17-7-2-8-18-32/h1-30H
InChIKeyCYLKADAOCVAVNL-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole

2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole (PubChem CID 118317678) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole
PubChem CID118317678
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3cc5c(cc(-c6ccccc6)n5-c5ccccc5)cc3n4-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C46H30N4/c1-5-15-31(16-6-1)42-28-34-29-44-39(30-43(34)50(42)36-21-11-4-12-22-36)38-27-33(25-26-41(38)49(44)35-19-9-3-10-20-35)46-47-40-24-14-13-23-37(40)45(48-46)32-17-7-2-8-18-32/h1-30H
InChIKeyCYLKADAOCVAVNL-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 164723877
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

Frequently Asked Questions

What is the IUPAC name of 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole (CID 118317678) is 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3cc5c(cc(-c6ccccc6)n5-c5ccccc5)cc3n4-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole?
The InChIKey is CYLKADAOCVAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-5-15-31(16-6-1)42-28-34-29-44-39(30-43(34)50(42)36-21-11-4-12-22-36)38-27-33(25-26-41(38)49(44)35-19-9-3-10-20-35)46-47-40-24-14-13-23-37(40)45(48-46)32-17-7-2-8-18-32/h1-30H.
What are the key properties of 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole?
2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-triphenyl-6-(4-phenylquinazolin-2-yl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 118317678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).