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

C54H36N4 — CID 144925897

IUPAC3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5C4=Nc5ccccc5C(c5ccc(-c6ccc7ccccc7c6)cc5)N4)ccc32)cc1
InChIInChI=1S/C54H36N4/c1-2-14-42(15-3-1)57-49-20-10-7-16-43(49)46-33-40(28-30-51(46)57)41-29-31-52-47(34-41)44-17-8-11-21-50(44)58(52)54-55-48-19-9-6-18-45(48)53(56-54)37-25-22-36(23-26-37)39-27-24-35-12-4-5-13-38(35)32-39/h1-34,53H,(H,55,56)
InChIKeyYGUSZSAJHQGFRC-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.61
Rot. Bonds4

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

3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 144925897) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID144925897
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5C4=Nc5ccccc5C(c5ccc(-c6ccc7ccccc7c6)cc5)N4)ccc32)cc1
InChIInChI=1S/C54H36N4/c1-2-14-42(15-3-1)57-49-20-10-7-16-43(49)46-33-40(28-30-51(46)57)41-29-31-52-47(34-41)44-17-8-11-21-50(44)58(52)54-55-48-19-9-6-18-45(48)53(56-54)37-25-22-36(23-26-37)39-27-24-35-12-4-5-13-38(35)32-39/h1-34,53H,(H,55,56)
InChIKeyYGUSZSAJHQGFRC-UHFFFAOYSA-N
XLogP13.61
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 144925897) is 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5C4=Nc5ccccc5C(c5ccc(-c6ccc7ccccc7c6)cc5)N4)ccc32)cc1.
What is the InChIKey of 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is YGUSZSAJHQGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-2-14-42(15-3-1)57-49-20-10-7-16-43(49)46-33-40(28-30-51(46)57)41-29-31-52-47(34-41)44-17-8-11-21-50(44)58(52)54-55-48-19-9-6-18-45(48)53(56-54)37-25-22-36(23-26-37)39-27-24-35-12-4-5-13-38(35)32-39/h1-34,53H,(H,55,56).
What are the key properties of 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 740.91 g/mol, XLogP of 13.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).