7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine

C74H51N3 — CID 89260596

IUPAC7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)c2)cc1
InChIInChI=1S/C74H51N3/c1-7-19-52(20-8-1)58-37-41-73-71(50-58)72-51-59(53-21-9-2-10-22-53)38-42-74(72)77(73)70-48-62(56-33-31-54-35-39-68(46-60(54)43-56)75(64-23-11-3-12-24-64)65-25-13-4-14-26-65)45-63(49-70)57-34-32-55-36-40-69(47-61(55)44-57)76(66-27-15-5-16-28-66)67-29-17-6-18-30-67/h1-51H
InChIKeyISAQBGIOIFABCC-UHFFFAOYSA-N
MW982.24 g/mol
LogP20.70
Rot. Bonds11

About 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine

7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine (PubChem CID 89260596) has the molecular formula C74H51N3 and a molecular weight of 982.24 g/mol. Its IUPAC name is 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine.

Molecular Properties

Compound Name7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine
PubChem CID89260596
Molecular FormulaC74H51N3
Molecular Weight982.24 g/mol
Exact Mass981.41
IUPAC Name7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)c2)cc1
InChIInChI=1S/C74H51N3/c1-7-19-52(20-8-1)58-37-41-73-71(50-58)72-51-59(53-21-9-2-10-22-53)38-42-74(72)77(73)70-48-62(56-33-31-54-35-39-68(46-60(54)43-56)75(64-23-11-3-12-24-64)65-25-13-4-14-26-65)45-63(49-70)57-34-32-55-36-40-69(47-61(55)44-57)76(66-27-15-5-16-28-66)67-29-17-6-18-30-67/h1-51H
InChIKeyISAQBGIOIFABCC-UHFFFAOYSA-N
XLogP20.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.24
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N,4-diphenyl-N-[4-[7-(9-phenylcarbazol-3-yl)pyren-2-yl]phenyl]aniline
CID 90164565
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine?
The IUPAC name of 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine (CID 89260596) is 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine.
What is the SMILES notation for 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine?
The canonical SMILES for 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)cc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)cc4c3)c2)cc1.
What is the InChIKey of 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine?
The InChIKey is ISAQBGIOIFABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N3/c1-7-19-52(20-8-1)58-37-41-73-71(50-58)72-51-59(53-21-9-2-10-22-53)38-42-74(72)77(73)70-48-62(56-33-31-54-35-39-68(46-60(54)43-56)75(64-23-11-3-12-24-64)65-25-13-4-14-26-65)45-63(49-70)57-34-32-55-36-40-69(47-61(55)44-57)76(66-27-15-5-16-28-66)67-29-17-6-18-30-67/h1-51H.
What are the key properties of 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine?
7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine has a molecular weight of 982.24 g/mol, XLogP of 20.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine is sourced from PubChem (CID 89260596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).