N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline

C85H57N5 — CID 88881400

IUPACN-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
SMILESc1cc(C2c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C85H57N5/c1-3-37-77-69(29-1)70-30-2-4-38-78(70)85(77)59-21-17-22-62(53-59)86(63-23-18-26-66(54-63)88-79-39-11-5-31-71(79)72-32-6-12-40-80(72)88)60-49-45-57(46-50-60)58-47-51-61(52-48-58)87(64-24-19-27-67(55-64)89-81-41-13-7-33-73(81)74-34-8-14-42-82(74)89)65-25-20-28-68(56-65)90-83-43-15-9-35-75(83)76-36-10-16-44-84(76)90/h1-56,85H
InChIKeyNUNDJGFYNNTPIA-UHFFFAOYSA-N
MW1148.43 g/mol
LogP22.75
Rot. Bonds11

About N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline

N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline (PubChem CID 88881400) has the molecular formula C85H57N5 and a molecular weight of 1148.43 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
PubChem CID88881400
Molecular FormulaC85H57N5
Molecular Weight1148.43 g/mol
Exact Mass1147.46
IUPAC NameN-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
SMILESc1cc(C2c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C85H57N5/c1-3-37-77-69(29-1)70-30-2-4-38-78(70)85(77)59-21-17-22-62(53-59)86(63-23-18-26-66(54-63)88-79-39-11-5-31-71(79)72-32-6-12-40-80(72)88)60-49-45-57(46-50-60)58-47-51-61(52-48-58)87(64-24-19-27-67(55-64)89-81-41-13-7-33-73(81)74-34-8-14-42-82(74)89)65-25-20-28-68(56-65)90-83-43-15-9-35-75(83)76-36-10-16-44-84(76)90/h1-56,85H
InChIKeyNUNDJGFYNNTPIA-UHFFFAOYSA-N
XLogP22.75
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.43
LogP ≤ 522.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(4-carbazol-9-ylphenyl)-9-phenyl-9H-fluoren-2-amine
CID 167110197
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N,5,9-triphenyl-N-[4-(3-phenyl-9H-fluoren-9-yl)phenyl]carbazol-3-amine
CID 169009813
5-(2,8-diphenylbenzo[b]phosphindol-5-yl)-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-9H-fluoren-3-yl)benzene-1,3-diamine
CID 90295386
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine
CID 20748218
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
CID 58421134
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 164800354
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
CID 58510731
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline (CID 88881400) is N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline is c1cc(C2c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline?
The InChIKey is NUNDJGFYNNTPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H57N5/c1-3-37-77-69(29-1)70-30-2-4-38-78(70)85(77)59-21-17-22-62(53-59)86(63-23-18-26-66(54-63)88-79-39-11-5-31-71(79)72-32-6-12-40-80(72)88)60-49-45-57(46-50-60)58-47-51-61(52-48-58)87(64-24-19-27-67(55-64)89-81-41-13-7-33-73(81)74-34-8-14-42-82(74)89)65-25-20-28-68(56-65)90-83-43-15-9-35-75(83)76-36-10-16-44-84(76)90/h1-56,85H.
What are the key properties of N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline?
N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline has a molecular weight of 1148.43 g/mol, XLogP of 22.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline is sourced from PubChem (CID 88881400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).