N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C56H44N2 — CID 154597309

IUPACN-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H44N2/c1-3-39(2)40-18-20-44(21-19-40)47-27-34-55-53(37-47)54-38-48(28-35-56(54)58(55)49-16-8-5-9-17-49)45-24-31-51(32-25-45)57(52-33-26-42-14-10-11-15-46(42)36-52)50-29-22-43(23-30-50)41-12-6-4-7-13-41/h4-39H,3H2,1-2H3
InChIKeyWQQOGQQRIZUJIE-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.92
Rot. Bonds9

About N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 154597309) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID154597309
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H44N2/c1-3-39(2)40-18-20-44(21-19-40)47-27-34-55-53(37-47)54-38-48(28-35-56(54)58(55)49-16-8-5-9-17-49)45-24-31-51(32-25-45)57(52-33-26-42-14-10-11-15-46(42)36-52)50-29-22-43(23-30-50)41-12-6-4-7-13-41/h4-39H,3H2,1-2H3
InChIKeyWQQOGQQRIZUJIE-UHFFFAOYSA-N
XLogP15.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
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-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
3-carbazol-9-yl-N,N-bis(4-phenylphenyl)aniline;3-carbazol-9-yl-N,N-diphenylaniline;4-carbazol-9-yl-N,N-diphenylaniline;N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 162023531
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
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-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 154597309) is N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is WQQOGQQRIZUJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-3-39(2)40-18-20-44(21-19-40)47-27-34-55-53(37-47)54-38-48(28-35-56(54)58(55)49-16-8-5-9-17-49)45-24-31-51(32-25-45)57(52-33-26-42-14-10-11-15-46(42)36-52)50-29-22-43(23-30-50)41-12-6-4-7-13-41/h4-39H,3H2,1-2H3.
What are the key properties of N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 744.98 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 154597309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).