9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole

C56H36N4 — CID 118317505

IUPAC9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C56H36N4/c1-4-18-39(19-5-1)53-48-35-47-45-26-13-15-30-50(45)60(51(47)36-52(48)59(42-23-8-3-9-24-42)55(53)41-20-6-2-7-21-41)56-57-49-29-14-12-27-46(49)54(58-56)40-33-31-38(32-34-40)44-28-16-22-37-17-10-11-25-43(37)44/h1-36H
InChIKeyRBUIPVJOPALURT-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole

9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole (PubChem CID 118317505) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
PubChem CID118317505
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C56H36N4/c1-4-18-39(19-5-1)53-48-35-47-45-26-13-15-30-50(45)60(51(47)36-52(48)59(42-23-8-3-9-24-42)55(53)41-20-6-2-7-21-41)56-57-49-29-14-12-27-46(49)54(58-56)40-33-31-38(32-34-40)44-28-16-22-37-17-10-11-25-43(37)44/h1-36H
InChIKeyRBUIPVJOPALURT-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole
CID 159357327
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
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
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole (CID 118317505) is 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole?
The InChIKey is RBUIPVJOPALURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-18-39(19-5-1)53-48-35-47-45-26-13-15-30-50(45)60(51(47)36-52(48)59(42-23-8-3-9-24-42)55(53)41-20-6-2-7-21-41)56-57-49-29-14-12-27-46(49)54(58-56)40-33-31-38(32-34-40)44-28-16-22-37-17-10-11-25-43(37)44/h1-36H.
What are the key properties of 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole?
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 118317505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).