3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole

C55H38N4 — CID 139472667

IUPAC3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C55H38N4/c1-35-13-11-22-48-53(35)54(38-27-25-37(26-28-38)43-21-12-15-36-14-5-6-18-42(36)43)57-55(56-48)59-50-24-10-8-20-45(50)47-34-40(30-32-52(47)59)39-29-31-51-46(33-39)44-19-7-9-23-49(44)58(51)41-16-3-2-4-17-41/h2-12,14-35H,13H2,1H3
InChIKeyXGEKOCFFNAPATI-UHFFFAOYSA-N
MW754.94 g/mol
LogP14.35
Rot. Bonds5

About 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 139472667) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID139472667
Molecular FormulaC55H38N4
Molecular Weight754.94 g/mol
Exact Mass754.31
IUPAC Name3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C55H38N4/c1-35-13-11-22-48-53(35)54(38-27-25-37(26-28-38)43-21-12-15-36-14-5-6-18-42(36)43)57-55(56-48)59-50-24-10-8-20-45(50)47-34-40(30-32-52(47)59)39-29-31-51-46(33-39)44-19-7-9-23-49(44)58(51)41-16-3-2-4-17-41/h2-12,14-35H,13H2,1H3
InChIKeyXGEKOCFFNAPATI-UHFFFAOYSA-N
XLogP14.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236507

Frequently Asked Questions

What is the IUPAC name of 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 139472667) is 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole is CC1CC=Cc2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccc(-c4cccc5ccccc45)cc3)c21.
What is the InChIKey of 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is XGEKOCFFNAPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-35-13-11-22-48-53(35)54(38-27-25-37(26-28-38)43-21-12-15-36-14-5-6-18-42(36)43)57-55(56-48)59-50-24-10-8-20-45(50)47-34-40(30-32-52(47)59)39-29-31-51-46(33-39)44-19-7-9-23-49(44)58(51)41-16-3-2-4-17-41/h2-12,14-35H,13H2,1H3.
What are the key properties of 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 754.94 g/mol, XLogP of 14.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 139472667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).