2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline

C40H32N4 — CID 147735698

IUPAC2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
SMILESCc1c(C)n(-c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)cc(-n3c(C)c(C)c4ccccc43)c2)c2ccccc12
InChIInChI=1S/C40H32N4/c1-25-27(3)43(37-20-12-9-16-33(25)37)31-22-30(23-32(24-31)44-28(4)26(2)34-17-10-13-21-38(34)44)40-41-36-19-11-8-18-35(36)39(42-40)29-14-6-5-7-15-29/h5-24H,1-4H3
InChIKeyGZHZJSXXVCENIH-UHFFFAOYSA-N
MW568.72 g/mol
LogP10.09
Rot. Bonds4

About 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline

2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline (PubChem CID 147735698) has the molecular formula C40H32N4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
PubChem CID147735698
Molecular FormulaC40H32N4
Molecular Weight568.72 g/mol
Exact Mass568.26
IUPAC Name2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
SMILESCc1c(C)n(-c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)cc(-n3c(C)c(C)c4ccccc43)c2)c2ccccc12
InChIInChI=1S/C40H32N4/c1-25-27(3)43(37-20-12-9-16-33(25)37)31-22-30(23-32(24-31)44-28(4)26(2)34-17-10-13-21-38(34)44)40-41-36-19-11-8-18-35(36)39(42-40)29-14-6-5-7-15-29/h5-24H,1-4H3
InChIKeyGZHZJSXXVCENIH-UHFFFAOYSA-N
XLogP10.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954
3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 134236962
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-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
9-(3,5-diphenylphenyl)-14-[4-(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 135166119
5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592234
9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161266097
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline (CID 147735698) is 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline is Cc1c(C)n(-c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)cc(-n3c(C)c(C)c4ccccc43)c2)c2ccccc12.
What is the InChIKey of 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline?
The InChIKey is GZHZJSXXVCENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4/c1-25-27(3)43(37-20-12-9-16-33(25)37)31-22-30(23-32(24-31)44-28(4)26(2)34-17-10-13-21-38(34)44)40-41-36-19-11-8-18-35(36)39(42-40)29-14-6-5-7-15-29/h5-24H,1-4H3.
What are the key properties of 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline?
2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline has a molecular weight of 568.72 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline is sourced from PubChem (CID 147735698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).