3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole

C44H29N3 — CID 145159167

IUPAC3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5)ccc43)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)47-41-19-11-10-18-37(41)39-28-34(23-27-42(39)47)35-22-26-38-40(29-35)45-44(33-16-8-3-9-17-33)46-43(38)32-14-6-2-7-15-32/h1-29H
InChIKeyXMINXWGKNGASDX-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole

3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 145159167) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
PubChem CID145159167
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5)ccc43)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)47-41-19-11-10-18-37(41)39-28-34(23-27-42(39)47)35-22-26-38-40(29-35)45-44(33-16-8-3-9-17-33)46-43(38)32-14-6-2-7-15-32/h1-29H
InChIKeyXMINXWGKNGASDX-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-carbazol-9-yl-9-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)carbazole;3-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 167583458
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole (CID 145159167) is 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5)ccc43)cc2)cc1.
What is the InChIKey of 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is XMINXWGKNGASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)47-41-19-11-10-18-37(41)39-28-34(23-27-42(39)47)35-22-26-38-40(29-35)45-44(33-16-8-3-9-17-33)46-43(38)32-14-6-2-7-15-32/h1-29H.
What are the key properties of 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole?
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 145159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).