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

C145H120N4O2 — CID 158184975

IUPACN-[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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1
InChIInChI=1S/C77H64N2O.C68H56N2O/c1-5-52(54-32-40-67(41-33-54)80-68-42-34-59-28-29-60(59)47-68)46-51(2)53-20-22-57(23-21-53)61-35-44-75-71(48-61)72-49-62(36-45-76(72)79(75)64-16-10-7-11-17-64)58-26-24-55(25-27-58)56-30-37-65(38-31-56)78(63-14-8-6-9-15-63)66-39-43-70-69-18-12-13-19-73(69)77(3,4)74(70)50-66;1-3-48(51-29-38-63(39-30-51)71-64-40-31-54-23-24-56(54)44-64)43-47(2)49-19-21-53(22-20-49)57-32-41-67-65(45-57)66-46-58(33-42-68(66)70(67)60-17-11-6-12-18-60)55-27-36-62(37-28-55)69(59-15-9-5-10-16-59)61-34-25-52(26-35-61)50-13-7-4-8-14-50/h6-27,30-45,47-52H,5,28-29,46H2,1-4H3;4-22,25-42,44-48H,3,23-24,43H2,1-2H3
InChIKeyFZAPKGAZXDLVPT-UHFFFAOYSA-N
MW1950.58 g/mol
LogP39.97
Rot. Bonds28

About 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

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 (PubChem CID 158184975) has the molecular formula C145H120N4O2 and a molecular weight of 1950.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158184975
Molecular FormulaC145H120N4O2
Molecular Weight1950.58 g/mol
Exact Mass1948.94
IUPAC NameN-[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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1
InChIInChI=1S/C77H64N2O.C68H56N2O/c1-5-52(54-32-40-67(41-33-54)80-68-42-34-59-28-29-60(59)47-68)46-51(2)53-20-22-57(23-21-53)61-35-44-75-71(48-61)72-49-62(36-45-76(72)79(75)64-16-10-7-11-17-64)58-26-24-55(25-27-58)56-30-37-65(38-31-56)78(63-14-8-6-9-15-63)66-39-43-70-69-18-12-13-19-73(69)77(3,4)74(70)50-66;1-3-48(51-29-38-63(39-30-51)71-64-40-31-54-23-24-56(54)44-64)43-47(2)49-19-21-53(22-20-49)57-32-41-67-65(45-57)66-46-58(33-42-68(66)70(67)60-17-11-6-12-18-60)55-27-36-62(37-28-55)69(59-15-9-5-10-16-59)61-34-25-52(26-35-61)50-13-7-4-8-14-50/h6-27,30-45,47-52H,5,28-29,46H2,1-4H3;4-22,25-42,44-48H,3,23-24,43H2,1-2H3
InChIKeyFZAPKGAZXDLVPT-UHFFFAOYSA-N
XLogP39.97
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001950.58
LogP ≤ 539.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614173
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
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-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155606323
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
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
N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154608860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1.CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1.
What is the InChIKey of 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?
The InChIKey is FZAPKGAZXDLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H64N2O.C68H56N2O/c1-5-52(54-32-40-67(41-33-54)80-68-42-34-59-28-29-60(59)47-68)46-51(2)53-20-22-57(23-21-53)61-35-44-75-71(48-61)72-49-62(36-45-76(72)79(75)64-16-10-7-11-17-64)58-26-24-55(25-27-58)56-30-37-65(38-31-56)78(63-14-8-6-9-15-63)66-39-43-70-69-18-12-13-19-73(69)77(3,4)74(70)50-66;1-3-48(51-29-38-63(39-30-51)71-64-40-31-54-23-24-56(54)44-64)43-47(2)49-19-21-53(22-20-49)57-32-41-67-65(45-57)66-46-58(33-42-68(66)70(67)60-17-11-6-12-18-60)55-27-36-62(37-28-55)69(59-15-9-5-10-16-59)61-34-25-52(26-35-61)50-13-7-4-8-14-50/h6-27,30-45,47-52H,5,28-29,46H2,1-4H3;4-22,25-42,44-48H,3,23-24,43H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1950.58 g/mol, XLogP of 39.97, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158184975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).