N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline

C50H34N4 — CID 163422433

IUPACN,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5c4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C50H34N4/c1-4-14-36(15-5-1)49-45-21-10-12-22-46(45)51-50(52-49)37-26-24-35(25-27-37)38-28-33-44-43-20-11-13-23-47(43)54(48(44)34-38)42-31-29-41(30-32-42)53(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-34H
InChIKeyAJOPYCJSMKRNBQ-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.20
Rot. Bonds7

About N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline

N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline (PubChem CID 163422433) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
PubChem CID163422433
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC NameN,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5c4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C50H34N4/c1-4-14-36(15-5-1)49-45-21-10-12-22-46(45)51-50(52-49)37-26-24-35(25-27-37)38-28-33-44-43-20-11-13-23-47(43)54(48(44)34-38)42-31-29-41(30-32-42)53(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-34H
InChIKeyAJOPYCJSMKRNBQ-UHFFFAOYSA-N
XLogP13.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 161499770
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162220599
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
4-N-naphthalen-1-yl-1-N,1-N-diphenyl-4-N-[4-[3-[3-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 163527476
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline (CID 163422433) is N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline is c1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5c4)cc3)nc3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline?
The InChIKey is AJOPYCJSMKRNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-14-36(15-5-1)49-45-21-10-12-22-46(45)51-50(52-49)37-26-24-35(25-27-37)38-28-33-44-43-20-11-13-23-47(43)54(48(44)34-38)42-31-29-41(30-32-42)53(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-34H.
What are the key properties of N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline?
N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline has a molecular weight of 690.85 g/mol, XLogP of 13.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline is sourced from PubChem (CID 163422433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).