5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

C38H27N3O — CID 130230894

IUPAC5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(C3NC(n4c5ccccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h1-23,36,38-40H
InChIKeyOLPCBEULPGFRCQ-UHFFFAOYSA-N
MW541.65 g/mol
LogP9.62
Rot. Bonds3

About 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 130230894) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID130230894
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(C3NC(n4c5ccccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h1-23,36,38-40H
InChIKeyOLPCBEULPGFRCQ-UHFFFAOYSA-N
XLogP9.62
TPSA42.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

4-phenyl-2-[(3-phenyldibenzofuran-4-yl)methyl]-1,2,3,4-tetrahydroquinazoline
CID 121323540
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90076067
21-phenyl-24-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 145085116
15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679242
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
CID 90231195
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
2-(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-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 130230894) is 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2ccc(C3NC(n4c5ccccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is OLPCBEULPGFRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35/h1-23,36,38-40H.
What are the key properties of 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 541.65 g/mol, XLogP of 9.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 130230894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).