N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C169H137N5 — CID 158167426

IUPACN-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C86H68N2.C83H69N3/c1-3-60(64-23-25-65(26-24-64)66-27-31-71(32-28-66)75-37-35-72-36-38-76(72)56-75)55-59(2)61-19-21-73(22-20-61)77-45-53-85-83(57-77)84-58-78(46-54-86(84)88(85)79-17-11-6-12-18-79)74-33-29-67(30-34-74)70-43-51-82(52-44-70)87(80-47-39-68(40-48-80)62-13-7-4-8-14-62)81-49-41-69(42-50-81)63-15-9-5-10-16-63;1-5-57(60-31-40-70(41-32-60)84(68-19-11-7-12-20-68)73-46-37-63-29-30-65(63)52-73)51-56(2)58-25-27-62(28-26-58)66-38-49-81-77(53-66)78-54-67(39-50-82(78)86(81)69-21-13-8-14-22-69)64-35-44-72(45-36-64)85(71-42-33-61(34-43-71)59-17-9-6-10-18-59)74-47-48-76-75-23-15-16-24-79(75)83(3,4)80(76)55-74/h4-35,37,39-54,56-60H,3,36,38,55H2,1-2H3;6-28,31-50,52-57H,5,29-30,51H2,1-4H3
InChIKeyFXADCCHMGRGTGF-UHFFFAOYSA-N
MW2237.99 g/mol
LogP46.53
Rot. Bonds31

About N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 158167426) has the molecular formula C169H137N5 and a molecular weight of 2237.99 g/mol. Its IUPAC name is N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID158167426
Molecular FormulaC169H137N5
Molecular Weight2237.99 g/mol
Exact Mass2236.09
IUPAC NameN-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C86H68N2.C83H69N3/c1-3-60(64-23-25-65(26-24-64)66-27-31-71(32-28-66)75-37-35-72-36-38-76(72)56-75)55-59(2)61-19-21-73(22-20-61)77-45-53-85-83(57-77)84-58-78(46-54-86(84)88(85)79-17-11-6-12-18-79)74-33-29-67(30-34-74)70-43-51-82(52-44-70)87(80-47-39-68(40-48-80)62-13-7-4-8-14-62)81-49-41-69(42-50-81)63-15-9-5-10-16-63;1-5-57(60-31-40-70(41-32-60)84(68-19-11-7-12-20-68)73-46-37-63-29-30-65(63)52-73)51-56(2)58-25-27-62(28-26-58)66-38-49-81-77(53-66)78-54-67(39-50-82(78)86(81)69-21-13-8-14-22-69)64-35-44-72(45-36-64)85(71-42-33-61(34-43-71)59-17-9-6-10-18-59)74-47-48-76-75-23-15-16-24-79(75)83(3,4)80(76)55-74/h4-35,37,39-54,56-60H,3,36,38,55H2,1-2H3;6-28,31-50,52-57H,5,29-30,51H2,1-4H3
InChIKeyFXADCCHMGRGTGF-UHFFFAOYSA-N
XLogP46.53
TPSA19.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002237.99
LogP ≤ 546.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 158184975
N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114
N-phenyl-N-[4-[5-[4-[6-[4-(N-phenylanilino)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]hexan-3-yl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 155621916
4-[6-(4-butan-2-ylphenyl)-9-(4-methylphenyl)carbazol-3-yl]-N,N-diphenylaniline;4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159054745
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
CID 155621917
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614223
N-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 155621912
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 158167426) is N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1.
What is the InChIKey of N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FXADCCHMGRGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N2.C83H69N3/c1-3-60(64-23-25-65(26-24-64)66-27-31-71(32-28-66)75-37-35-72-36-38-76(72)56-75)55-59(2)61-19-21-73(22-20-61)77-45-53-85-83(57-77)84-58-78(46-54-86(84)88(85)79-17-11-6-12-18-79)74-33-29-67(30-34-74)70-43-51-82(52-44-70)87(80-47-39-68(40-48-80)62-13-7-4-8-14-62)81-49-41-69(42-50-81)63-15-9-5-10-16-63;1-5-57(60-31-40-70(41-32-60)84(68-19-11-7-12-20-68)73-46-37-63-29-30-65(63)52-73)51-56(2)58-25-27-62(28-26-58)66-38-49-81-77(53-66)78-54-67(39-50-82(78)86(81)69-21-13-8-14-22-69)64-35-44-72(45-36-64)85(71-42-33-61(34-43-71)59-17-9-6-10-18-59)74-47-48-76-75-23-15-16-24-79(75)83(3,4)80(76)55-74/h4-35,37,39-54,56-60H,3,36,38,55H2,1-2H3;6-28,31-50,52-57H,5,29-30,51H2,1-4H3.
What are the key properties of N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2237.99 g/mol, XLogP of 46.53, 31 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158167426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).