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

C66H45N5 — CID 163527476

IUPAC4-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
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc4)c3)nc3ccccc23)cc1
InChIInChI=1S/C66H45N5/c1-4-19-47(20-5-1)65-59-30-12-14-31-61(59)67-66(68-65)50-23-16-22-48(44-50)49-34-43-64-60(45-49)58-29-13-15-32-63(58)71(64)56-41-39-55(40-42-56)70(62-33-17-21-46-18-10-11-28-57(46)62)54-37-35-53(36-38-54)69(51-24-6-2-7-25-51)52-26-8-3-9-27-52/h1-45H
InChIKeyDPZPTTYUNGVSQK-UHFFFAOYSA-N
MW908.12 g/mol
LogP17.82
Rot. Bonds10

About 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

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 (PubChem CID 163527476) has the molecular formula C66H45N5 and a molecular weight of 908.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID163527476
Molecular FormulaC66H45N5
Molecular Weight908.12 g/mol
Exact Mass907.37
IUPAC Name4-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
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc4)c3)nc3ccccc23)cc1
InChIInChI=1S/C66H45N5/c1-4-19-47(20-5-1)65-59-30-12-14-31-61(59)67-66(68-65)50-23-16-22-48(44-50)49-34-43-64-60(45-49)58-29-13-15-32-63(58)71(64)56-41-39-55(40-42-56)70(62-33-17-21-46-18-10-11-28-57(46)62)54-37-35-53(36-38-54)69(51-24-6-2-7-25-51)52-26-8-3-9-27-52/h1-45H
InChIKeyDPZPTTYUNGVSQK-UHFFFAOYSA-N
XLogP17.82
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.12
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
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
N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
CID 163422433
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 130452686
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc4)c3)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is DPZPTTYUNGVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N5/c1-4-19-47(20-5-1)65-59-30-12-14-31-61(59)67-66(68-65)50-23-16-22-48(44-50)49-34-43-64-60(45-49)58-29-13-15-32-63(58)71(64)56-41-39-55(40-42-56)70(62-33-17-21-46-18-10-11-28-57(46)62)54-37-35-53(36-38-54)69(51-24-6-2-7-25-51)52-26-8-3-9-27-52/h1-45H.
What are the key properties of 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?
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 has a molecular weight of 908.12 g/mol, XLogP of 17.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163527476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).