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

C164H142N6O2 — CID 161137558

IUPACN-[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
SMILESCCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C56H50N2.C55H48N2O.C53H44N2O/c1-6-39(2)40-17-19-43(20-18-40)45-25-35-54-52(37-45)53-38-46(26-36-55(53)58(54)51-33-27-47(28-34-51)56(3,4)5)44-23-31-50(32-24-44)57(48-15-11-8-12-16-48)49-29-21-42(22-30-49)41-13-9-7-10-14-41;1-5-39(4)40-16-18-43(19-17-40)45-24-34-54-52(36-45)53-37-46(25-35-55(53)57(54)50-30-32-51(33-31-50)58-38(2)3)44-22-28-49(29-23-44)56(47-14-10-7-11-15-47)48-26-20-42(21-27-48)41-12-8-6-9-13-41;1-4-37(2)38-15-17-41(18-16-38)43-23-33-52-50(35-43)51-36-44(24-34-53(51)55(52)48-29-31-49(56-3)32-30-48)42-21-27-47(28-22-42)54(45-13-9-6-10-14-45)46-25-19-40(20-26-46)39-11-7-5-8-12-39/h7-39H,6H2,1-5H3;6-39H,5H2,1-4H3;5-37H,4H2,1-3H3
InChIKeyUMZNPJJRKAHQPP-UHFFFAOYSA-N
MW2228.98 g/mol
LogP46.40
Rot. Bonds30

About 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

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 (PubChem CID 161137558) has the molecular formula C164H142N6O2 and a molecular weight of 2228.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161137558
Molecular FormulaC164H142N6O2
Molecular Weight2228.98 g/mol
Exact Mass2227.12
IUPAC NameN-[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
SMILESCCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C56H50N2.C55H48N2O.C53H44N2O/c1-6-39(2)40-17-19-43(20-18-40)45-25-35-54-52(37-45)53-38-46(26-36-55(53)58(54)51-33-27-47(28-34-51)56(3,4)5)44-23-31-50(32-24-44)57(48-15-11-8-12-16-48)49-29-21-42(22-30-49)41-13-9-7-10-14-41;1-5-39(4)40-16-18-43(19-17-40)45-24-34-54-52(36-45)53-37-46(25-35-55(53)57(54)50-30-32-51(33-31-50)58-38(2)3)44-22-28-49(29-23-44)56(47-14-10-7-11-15-47)48-26-20-42(21-27-48)41-12-8-6-9-13-41;1-4-37(2)38-15-17-41(18-16-38)43-23-33-52-50(35-43)51-36-44(24-34-53(51)55(52)48-29-31-49(56-3)32-30-48)42-21-27-47(28-22-42)54(45-13-9-6-10-14-45)46-25-19-40(20-26-46)39-11-7-5-8-12-39/h7-39H,6H2,1-5H3;6-39H,5H2,1-4H3;5-37H,4H2,1-3H3
InChIKeyUMZNPJJRKAHQPP-UHFFFAOYSA-N
XLogP46.40
TPSA42.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.98
LogP ≤ 546.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 154987360
N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
CID 154986914
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-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-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
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-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918
N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 146352245
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)C)cc2)cc1.CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UMZNPJJRKAHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2.C55H48N2O.C53H44N2O/c1-6-39(2)40-17-19-43(20-18-40)45-25-35-54-52(37-45)53-38-46(26-36-55(53)58(54)51-33-27-47(28-34-51)56(3,4)5)44-23-31-50(32-24-44)57(48-15-11-8-12-16-48)49-29-21-42(22-30-49)41-13-9-7-10-14-41;1-5-39(4)40-16-18-43(19-17-40)45-24-34-54-52(36-45)53-37-46(25-35-55(53)57(54)50-30-32-51(33-31-50)58-38(2)3)44-22-28-49(29-23-44)56(47-14-10-7-11-15-47)48-26-20-42(21-27-48)41-12-8-6-9-13-41;1-4-37(2)38-15-17-41(18-16-38)43-23-33-52-50(35-43)51-36-44(24-34-53(51)55(52)48-29-31-49(56-3)32-30-48)42-21-27-47(28-22-42)54(45-13-9-6-10-14-45)46-25-19-40(20-26-46)39-11-7-5-8-12-39/h7-39H,6H2,1-5H3;6-39H,5H2,1-4H3;5-37H,4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2228.98 g/mol, XLogP of 46.40, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161137558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).