N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

C56H44N2 — CID 170297134

IUPACN-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H44N2/c1-56(2,3)42-34-32-40(33-35-42)45-24-10-13-29-51(45)58(44-36-37-49-47-25-11-14-30-52(47)57(54(49)38-44)43-22-8-5-9-23-43)53-31-15-12-26-48(53)50-28-17-21-41-20-16-27-46(55(41)50)39-18-6-4-7-19-39/h4-38H,1-3H3
InChIKeyQVQMUEPBMQBZMP-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.71
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (PubChem CID 170297134) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
PubChem CID170297134
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H44N2/c1-56(2,3)42-34-32-40(33-35-42)45-24-10-13-29-51(45)58(44-36-37-49-47-25-11-14-30-52(47)57(54(49)38-44)43-22-8-5-9-23-43)53-31-15-12-26-48(53)50-28-17-21-41-20-16-27-46(55(41)50)39-18-6-4-7-19-39/h4-38H,1-3H3
InChIKeyQVQMUEPBMQBZMP-UHFFFAOYSA-N
XLogP15.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297517
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298322
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (CID 170297134) is N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is CC(C)(C)c1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The InChIKey is QVQMUEPBMQBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-56(2,3)42-34-32-40(33-35-42)45-24-10-13-29-51(45)58(44-36-37-49-47-25-11-14-30-52(47)57(54(49)38-44)43-22-8-5-9-23-43)53-31-15-12-26-48(53)50-28-17-21-41-20-16-27-46(55(41)50)39-18-6-4-7-19-39/h4-38H,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine has a molecular weight of 744.98 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170297134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).