N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline

C99H71N3 — CID 155323196

IUPACN-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccc(CCC9c%10ccccc%10-c%10ccccc%109)cc8)cc7)c7cccc(-c8ccccc8)c7)c6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C99H71N3/c1-3-19-70(20-4-1)73-48-56-84(57-49-73)100(85-58-50-75(51-59-85)76-54-62-87(63-55-76)102-98-37-13-11-35-96(98)97-36-12-14-38-99(97)102)88-28-18-27-83(68-88)80-24-15-23-79(65-80)77-44-46-78(47-45-77)82-26-17-30-90(67-82)101(89-29-16-25-81(66-89)71-21-5-2-6-22-71)86-60-52-74(53-61-86)72-42-39-69(40-43-72)41-64-95-93-33-9-7-31-91(93)92-32-8-10-34-94(92)95/h1-40,42-63,65-68,95H,41,64H2
InChIKeyZAUQBGCTMZXIDO-UHFFFAOYSA-N
MW1302.68 g/mol
LogP27.14
Rot. Bonds17

About N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline

N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline (PubChem CID 155323196) has the molecular formula C99H71N3 and a molecular weight of 1302.68 g/mol. Its IUPAC name is N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
PubChem CID155323196
Molecular FormulaC99H71N3
Molecular Weight1302.68 g/mol
Exact Mass1301.56
IUPAC NameN-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccc(CCC9c%10ccccc%10-c%10ccccc%109)cc8)cc7)c7cccc(-c8ccccc8)c7)c6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C99H71N3/c1-3-19-70(20-4-1)73-48-56-84(57-49-73)100(85-58-50-75(51-59-85)76-54-62-87(63-55-76)102-98-37-13-11-35-96(98)97-36-12-14-38-99(97)102)88-28-18-27-83(68-88)80-24-15-23-79(65-80)77-44-46-78(47-45-77)82-26-17-30-90(67-82)101(89-29-16-25-81(66-89)71-21-5-2-6-22-71)86-60-52-74(53-61-86)72-42-39-69(40-43-72)41-64-95-93-33-9-7-31-91(93)92-32-8-10-34-94(92)95/h1-40,42-63,65-68,95H,41,64H2
InChIKeyZAUQBGCTMZXIDO-UHFFFAOYSA-N
XLogP27.14
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.68
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
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
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 140820310
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline?
The IUPAC name of N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline (CID 155323196) is N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline.
What is the SMILES notation for N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline?
The canonical SMILES for N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccc(CCC9c%10ccccc%10-c%10ccccc%109)cc8)cc7)c7cccc(-c8ccccc8)c7)c6)cc5)c4)c3)cc2)cc1.
What is the InChIKey of N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline?
The InChIKey is ZAUQBGCTMZXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H71N3/c1-3-19-70(20-4-1)73-48-56-84(57-49-73)100(85-58-50-75(51-59-85)76-54-62-87(63-55-76)102-98-37-13-11-35-96(98)97-36-12-14-38-99(97)102)88-28-18-27-83(68-88)80-24-15-23-79(65-80)77-44-46-78(47-45-77)82-26-17-30-90(67-82)101(89-29-16-25-81(66-89)71-21-5-2-6-22-71)86-60-52-74(53-61-86)72-42-39-69(40-43-72)41-64-95-93-33-9-7-31-91(93)92-32-8-10-34-94(92)95/h1-40,42-63,65-68,95H,41,64H2.
What are the key properties of N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline?
N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline has a molecular weight of 1302.68 g/mol, XLogP of 27.14, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline is sourced from PubChem (CID 155323196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).