5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

C48H31N3 — CID 139361845

IUPAC5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)c(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)47-43-30-40(34-16-6-2-7-17-34)41(35-18-8-3-9-19-35)31-44(43)49-48(50-47)51-45-23-13-12-22-39(45)42-28-37-20-10-11-21-38(37)29-46(42)51/h1-31H
InChIKeyBOFOQCCEWMKAGE-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 139361845) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID139361845
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)c(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)47-43-30-40(34-16-6-2-7-17-34)41(35-18-8-3-9-19-35)31-44(43)49-48(50-47)51-45-23-13-12-22-39(45)42-28-37-20-10-11-21-38(37)29-46(42)51/h1-31H
InChIKeyBOFOQCCEWMKAGE-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,7-dinaphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 161085780
5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361842
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
5-(6,7-diphenyl-4-triphenylen-2-ylquinazolin-2-yl)-3-phenylbenzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-ylquinazolin-2-yl)-2-(4-phenylphenyl)benzo[b]carbazole;5-(4-naphthalen-1-yl-6-naphthalen-2-ylquinazolin-2-yl)-1-triphenylen-2-ylbenzo[b]carbazole
CID 157483627
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
CID 170127189

Frequently Asked Questions

What is the IUPAC name of 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 139361845) is 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)c(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is BOFOQCCEWMKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)47-43-30-40(34-16-6-2-7-17-34)41(35-18-8-3-9-19-35)31-44(43)49-48(50-47)51-45-23-13-12-22-39(45)42-28-37-20-10-11-21-38(37)29-46(42)51/h1-31H.
What are the key properties of 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).