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

C44H29N3O — CID 90076067

IUPAC3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(C3=NC(n4c5cc(-c6ccccc6)ccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)c2)cc1
InChIInChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-16-11-17-32(26-30)42-35-19-7-9-20-37(35)45-44(46-42)47-38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(38)36-23-22-31(27-39(36)47)29-14-5-2-6-15-29/h1-27,44-45H
InChIKeyRVKWIMHLKWZJKM-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.45
Rot. Bonds4

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

3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90076067) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90076067
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(C3=NC(n4c5cc(-c6ccccc6)ccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)c2)cc1
InChIInChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-16-11-17-32(26-30)42-35-19-7-9-20-37(35)45-44(46-42)47-38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(38)36-23-22-31(27-39(36)47)29-14-5-2-6-15-29/h1-27,44-45H
InChIKeyRVKWIMHLKWZJKM-UHFFFAOYSA-N
XLogP11.45
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
5-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 130230894
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 90076067) is 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(C3=NC(n4c5cc(-c6ccccc6)ccc5c5c6oc7ccccc7c6ccc54)Nc4ccccc43)c2)cc1.
What is the InChIKey of 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RVKWIMHLKWZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-16-11-17-32(26-30)42-35-19-7-9-20-37(35)45-44(46-42)47-38-25-24-34-33-18-8-10-21-40(33)48-43(34)41(38)36-23-22-31(27-39(36)47)29-14-5-2-6-15-29/h1-27,44-45H.
What are the key properties of 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 615.74 g/mol, XLogP of 11.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90076067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).