10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole

C50H32N4 — CID 90062413

IUPAC10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)cc5)c4c32)cc1
InChIInChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-32-31-36-27-30-43-42-16-7-9-20-46(42)54(49(43)48(36)53)39-28-25-37(26-29-39)50-51-45-19-8-6-17-44(45)47(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H
InChIKeyMSFYGOBVKGIJKX-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole

10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole (PubChem CID 90062413) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
PubChem CID90062413
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)cc5)c4c32)cc1
InChIInChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-32-31-36-27-30-43-42-16-7-9-20-46(42)54(49(43)48(36)53)39-28-25-37(26-29-39)50-51-45-19-8-6-17-44(45)47(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H
InChIKeyMSFYGOBVKGIJKX-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
10-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole;10-[4-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole;1-phenyl-10-[4-[4-(2-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 158136227
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 160841836
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole (CID 90062413) is 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)cc5)c4c32)cc1.
What is the InChIKey of 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The InChIKey is MSFYGOBVKGIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-32-31-36-27-30-43-42-16-7-9-20-46(42)54(49(43)48(36)53)39-28-25-37(26-29-39)50-51-45-19-8-6-17-44(45)47(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H.
What are the key properties of 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole?
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90062413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).