9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole

C48H37N3 — CID 177283093

IUPAC9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole
SMILESc1cc(-c2cccc3cccc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc6ccccc56)cc4)c23)cc(C2CCCCC2)c1
InChIInChI=1S/C48H37N3/c1-2-13-32(14-3-1)36-17-10-18-37(31-36)39-23-12-16-34-15-11-22-38(46(34)39)33-27-29-35(30-28-33)47-42-21-4-7-24-43(42)49-48(50-47)51-44-25-8-5-19-40(44)41-20-6-9-26-45(41)51/h4-12,15-32H,1-3,13-14H2
InChIKeyCZFJJSZVEVEYDG-UHFFFAOYSA-N
MW655.85 g/mol
LogP12.93
Rot. Bonds5

About 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole

9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole (PubChem CID 177283093) has the molecular formula C48H37N3 and a molecular weight of 655.85 g/mol. Its IUPAC name is 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole
PubChem CID177283093
Molecular FormulaC48H37N3
Molecular Weight655.85 g/mol
Exact Mass655.30
IUPAC Name9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole
SMILESc1cc(-c2cccc3cccc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc6ccccc56)cc4)c23)cc(C2CCCCC2)c1
InChIInChI=1S/C48H37N3/c1-2-13-32(14-3-1)36-17-10-18-37(31-36)39-23-12-16-34-15-11-22-38(46(34)39)33-27-29-35(30-28-33)47-42-21-4-7-24-43(42)49-48(50-47)51-44-25-8-5-19-40(44)41-20-6-9-26-45(41)51/h4-12,15-32H,1-3,13-14H2
InChIKeyCZFJJSZVEVEYDG-UHFFFAOYSA-N
XLogP12.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.85
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
CID 177109125
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
9,15-diphenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999012
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
9-[4-[2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)quinazolin-4-yl]phenyl]-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154986284
3-(9,9-dimethyl-5-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaenyl)-9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole
CID 129272589

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole?
The IUPAC name of 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole (CID 177283093) is 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole is c1cc(-c2cccc3cccc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc6ccccc56)cc4)c23)cc(C2CCCCC2)c1.
What is the InChIKey of 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole?
The InChIKey is CZFJJSZVEVEYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3/c1-2-13-32(14-3-1)36-17-10-18-37(31-36)39-23-12-16-34-15-11-22-38(46(34)39)33-27-29-35(30-28-33)47-42-21-4-7-24-43(42)49-48(50-47)51-44-25-8-5-19-40(44)41-20-6-9-26-45(41)51/h4-12,15-32H,1-3,13-14H2.
What are the key properties of 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole?
9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole has a molecular weight of 655.85 g/mol, XLogP of 12.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 177283093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).