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

C46H30N4 — CID 118317427

IUPAC1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c(ccc65)ccn7-c5ccccc5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H30N4/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)44-38-18-7-9-20-40(38)47-46(48-44)35-14-11-17-37(30-35)50-41-21-10-8-19-39(41)43-42(50)27-26-34-28-29-49(45(34)43)36-15-5-2-6-16-36/h1-30H
InChIKeyZZTNGEQHAFOBOR-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

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

1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole (PubChem CID 118317427) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
PubChem CID118317427
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c(ccc65)ccn7-c5ccccc5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H30N4/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)44-38-18-7-9-20-40(38)47-46(48-44)35-14-11-17-37(30-35)50-41-21-10-8-19-39(41)43-42(50)27-26-34-28-29-49(45(34)43)36-15-5-2-6-16-36/h1-30H
InChIKeyZZTNGEQHAFOBOR-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

Analyze 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]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

1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
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-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
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
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
10-(4-phenylphenyl)-15-[3-(4-phenylquinazolin-2-yl)phenyl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135165986
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509632
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
14-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]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 90222949
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289
12-(3,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;methane;12-(3-phenylphenyl)-5-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160880044

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole?
The IUPAC name of 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole (CID 118317427) is 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole?
The canonical SMILES for 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c(ccc65)ccn7-c5ccccc5)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole?
The InChIKey is ZZTNGEQHAFOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)44-38-18-7-9-20-40(38)47-46(48-44)35-14-11-17-37(30-35)50-41-21-10-8-19-39(41)43-42(50)27-26-34-28-29-49(45(34)43)36-15-5-2-6-16-36/h1-30H.
What are the key properties of 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole?
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]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 1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 118317427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).