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

C68H56N2O — CID 155621912

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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1
InChIInChI=1S/C68H56N2O/c1-3-48(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/h4-22,25-42,44-48H,3,23-24,43H2,1-2H3
InChIKeyXNSPQWCAJDRDHM-UHFFFAOYSA-N
MW917.21 g/mol
LogP18.83
Rot. Bonds14

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-[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 (PubChem CID 155621912) has the molecular formula C68H56N2O and a molecular weight of 917.21 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.

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
PubChem CID155621912
Molecular FormulaC68H56N2O
Molecular Weight917.21 g/mol
Exact Mass916.44
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
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1)c1ccc(Oc2ccc3c(c2)CC3)cc1
InChIInChI=1S/C68H56N2O/c1-3-48(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/h4-22,25-42,44-48H,3,23-24,43H2,1-2H3
InChIKeyXNSPQWCAJDRDHM-UHFFFAOYSA-N
XLogP18.83
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.21
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 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
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-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-[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-[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-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
9-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155606240
N-[4-[6-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 161137558
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-[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?
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 (CID 155621912) 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.
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?
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 is 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?
The InChIKey is XNSPQWCAJDRDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N2O/c1-3-48(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/h4-22,25-42,44-48H,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-[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 has a molecular weight of 917.21 g/mol, XLogP of 18.83, 14 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 155621912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).