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

C71H63N3 — CID 155621916

IUPACN-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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C71H63N3/c1-5-51(54-29-38-65(39-30-54)73(63-19-13-8-14-20-63)67-42-33-56-25-26-58(56)46-67)45-50(4)53-21-23-55(24-22-53)59-34-43-70-68(47-59)69-48-60(35-44-71(69)74(70)66-36-27-52(28-37-66)49(2)3)57-31-40-64(41-32-57)72(61-15-9-6-10-16-61)62-17-11-7-12-18-62/h6-24,27-44,46-51H,5,25-26,45H2,1-4H3
InChIKeyILJPAUDUFJBMDJ-UHFFFAOYSA-N
MW958.31 g/mol
LogP19.97
Rot. Bonds15

About 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

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 (PubChem CID 155621916) has the molecular formula C71H63N3 and a molecular weight of 958.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID155621916
Molecular FormulaC71H63N3
Molecular Weight958.31 g/mol
Exact Mass957.50
IUPAC NameN-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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1
InChIInChI=1S/C71H63N3/c1-5-51(54-29-38-65(39-30-54)73(63-19-13-8-14-20-63)67-42-33-56-25-26-58(56)46-67)45-50(4)53-21-23-55(24-22-53)59-34-43-70-68(47-59)69-48-60(35-44-71(69)74(70)66-36-27-52(28-37-66)49(2)3)57-31-40-64(41-32-57)72(61-15-9-6-10-16-61)62-17-11-7-12-18-62/h6-24,27-44,46-51H,5,25-26,45H2,1-4H3
InChIKeyILJPAUDUFJBMDJ-UHFFFAOYSA-N
XLogP19.97
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.31
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
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-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
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-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)CC3)cc1.
What is the InChIKey of 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?
The InChIKey is ILJPAUDUFJBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H63N3/c1-5-51(54-29-38-65(39-30-54)73(63-19-13-8-14-20-63)67-42-33-56-25-26-58(56)46-67)45-50(4)53-21-23-55(24-22-53)59-34-43-70-68(47-59)69-48-60(35-44-71(69)74(70)66-36-27-52(28-37-66)49(2)3)57-31-40-64(41-32-57)72(61-15-9-6-10-16-61)62-17-11-7-12-18-62/h6-24,27-44,46-51H,5,25-26,45H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 958.31 g/mol, XLogP of 19.97, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155621916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).