N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline

C59H42N4 — CID 140908469

IUPACN-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccn4)c3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C59H42N4/c1-41-40-61-57(39-55(41)45-28-26-44(27-29-45)42-15-4-2-5-16-42)48-35-47(43-17-6-3-7-18-43)37-52(38-48)62(51-20-14-19-46(36-51)56-23-12-13-34-60-56)49-30-32-50(33-31-49)63-58-24-10-8-21-53(58)54-22-9-11-25-59(54)63/h2-40H,1H3
InChIKeySGVRONCXEIITQZ-UHFFFAOYSA-N
MW807.01 g/mol
LogP15.69
Rot. Bonds9

About N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline (PubChem CID 140908469) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
PubChem CID140908469
Molecular FormulaC59H42N4
Molecular Weight807.01 g/mol
Exact Mass806.34
IUPAC NameN-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccn4)c3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C59H42N4/c1-41-40-61-57(39-55(41)45-28-26-44(27-29-45)42-15-4-2-5-16-42)48-35-47(43-17-6-3-7-18-43)37-52(38-48)62(51-20-14-19-46(36-51)56-23-12-13-34-60-56)49-30-32-50(33-31-49)63-58-24-10-8-21-53(58)54-22-9-11-25-59(54)63/h2-40H,1H3
InChIKeySGVRONCXEIITQZ-UHFFFAOYSA-N
XLogP15.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-[5-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2-pyridinyl]-9-phenylcarbazole;4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-N,N-diphenylaniline;N-(4-carbazol-9-ylphenyl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)-N-phenylaniline
CID 158809407
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
3,5-bis(4-tert-butylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-pyridin-3-ylphenyl)aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 158527673
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline (CID 140908469) is N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline is Cc1cnc(-c2cc(-c3ccccc3)cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccn4)c3)c2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline?
The InChIKey is SGVRONCXEIITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-41-40-61-57(39-55(41)45-28-26-44(27-29-45)42-15-4-2-5-16-42)48-35-47(43-17-6-3-7-18-43)37-52(38-48)62(51-20-14-19-46(36-51)56-23-12-13-34-60-56)49-30-32-50(33-31-49)63-58-24-10-8-21-53(58)54-22-9-11-25-59(54)63/h2-40H,1H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline has a molecular weight of 807.01 g/mol, XLogP of 15.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 140908469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).