1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole

C44H28N4 — CID 118317377

IUPAC1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c(ccc54)ccn6-c4ccccc4)nc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)32-24-25-35(34-18-8-7-17-33(32)34)42-36-19-9-11-21-38(36)45-44(46-42)48-39-22-12-10-20-37(39)41-40(48)26-23-30-27-28-47(43(30)41)31-15-5-2-6-16-31/h1-28H
InChIKeyVHRSIGKNURHUGS-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole

1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole (PubChem CID 118317377) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
PubChem CID118317377
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c(ccc54)ccn6-c4ccccc4)nc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)32-24-25-35(34-18-8-7-17-33(32)34)42-36-19-9-11-21-38(36)45-44(46-42)48-39-22-12-10-20-37(39)41-40(48)26-23-30-27-28-47(43(30)41)31-15-5-2-6-16-31/h1-28H
InChIKeyVHRSIGKNURHUGS-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603554
4-phenyl-14-(4-phenylisoquinolin-1-yl)-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 90223300
3-phenyl-6-[3-[4-(2-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;1-phenyl-6-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[3,2-c]carbazole;1-phenyl-6-quinazolin-2-ylpyrrolo[3,2-c]carbazole
CID 159215097
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267141
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 144645582
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole
CID 90270859
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole?
The IUPAC name of 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole (CID 118317377) is 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole?
The canonical SMILES for 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c(ccc54)ccn6-c4ccccc4)nc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole?
The InChIKey is VHRSIGKNURHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-13-29(14-4-1)32-24-25-35(34-18-8-7-17-33(32)34)42-36-19-9-11-21-38(36)45-44(46-42)48-39-22-12-10-20-37(39)41-40(48)26-23-30-27-28-47(43(30)41)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole?
1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 118317377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).