3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline

C82H56N2 — CID 176878077

IUPAC3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(N(c4ccc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C82H56N2/c1-6-23-57(24-7-1)63-33-20-36-74(54-63)83(75-55-68(60-29-12-4-13-30-60)50-69(56-75)67-48-64(58-25-8-2-9-26-58)47-65(49-67)59-27-10-3-11-28-59)73-45-43-61(44-46-73)66-51-70(77-39-21-32-62-31-16-17-37-76(62)77)53-71(52-66)78-40-22-42-81-82(78)79-38-18-19-41-80(79)84(81)72-34-14-5-15-35-72/h1-56H
InChIKeyJMCAHJVFUNOJBY-UHFFFAOYSA-N
MW1069.36 g/mol
LogP22.74
Rot. Bonds12

About 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline

3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 176878077) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
PubChem CID176878077
Molecular FormulaC82H56N2
Molecular Weight1069.36 g/mol
Exact Mass1068.44
IUPAC Name3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(N(c4ccc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C82H56N2/c1-6-23-57(24-7-1)63-33-20-36-74(54-63)83(75-55-68(60-29-12-4-13-30-60)50-69(56-75)67-48-64(58-25-8-2-9-26-58)47-65(49-67)59-27-10-3-11-28-59)73-45-43-61(44-46-73)66-51-70(77-39-21-32-62-31-16-17-37-76(62)77)53-71(52-66)78-40-22-42-81-82(78)79-38-18-19-41-80(79)84(81)72-34-14-5-15-35-72/h1-56H
InChIKeyJMCAHJVFUNOJBY-UHFFFAOYSA-N
XLogP22.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 522.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 166660024
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline (CID 176878077) is 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(N(c4ccc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is JMCAHJVFUNOJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-6-23-57(24-7-1)63-33-20-36-74(54-63)83(75-55-68(60-29-12-4-13-30-60)50-69(56-75)67-48-64(58-25-8-2-9-26-58)47-65(49-67)59-27-10-3-11-28-59)73-45-43-61(44-46-73)66-51-70(77-39-21-32-62-31-16-17-37-76(62)77)53-71(52-66)78-40-22-42-81-82(78)79-38-18-19-41-80(79)84(81)72-34-14-5-15-35-72/h1-56H.
What are the key properties of 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline?
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 1069.36 g/mol, XLogP of 22.74, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 176878077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).