2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C54H35N3 — CID 118204076

IUPAC2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc3c(cc2-c2c(-c4ccccc4)ccc4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)43-33-30-38-20-10-11-23-42(38)52(43)48-34-47-44-24-13-15-27-50(44)57(51(47)35-46(48)37-18-6-2-7-19-37)41-31-28-40(29-32-41)54-55-49-26-14-12-25-45(49)53(56-54)39-21-8-3-9-22-39/h1-35H
InChIKeyFFDXHQIBWXUHGM-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.22
Rot. Bonds6

About 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 118204076) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID118204076
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc3c(cc2-c2c(-c4ccccc4)ccc4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)43-33-30-38-20-10-11-23-42(38)52(43)48-34-47-44-24-13-15-27-50(44)57(51(47)35-46(48)37-18-6-2-7-19-37)41-31-28-40(29-32-41)54-55-49-26-14-12-25-45(49)53(56-54)39-21-8-3-9-22-39/h1-35H
InChIKeyFFDXHQIBWXUHGM-UHFFFAOYSA-N
XLogP14.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
9-[4-(4-phenylquinazolin-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene;11-[4-(4-phenylquinazolin-2-yl)phenyl]-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 159806119
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432173

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 118204076) is 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is c1ccc(-c2cc3c(cc2-c2c(-c4ccccc4)ccc4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is FFDXHQIBWXUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-16-36(17-5-1)43-33-30-38-20-10-11-23-42(38)52(43)48-34-47-44-24-13-15-27-50(44)57(51(47)35-46(48)37-18-6-2-7-19-37)41-31-28-40(29-32-41)54-55-49-26-14-12-25-45(49)53(56-54)39-21-8-3-9-22-39/h1-35H.
What are the key properties of 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118204076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).