N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C55H40N4 — CID 59372069

IUPACN-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C55H40N4/c1-37-19-25-43(26-20-37)57(44-27-21-38(2)22-28-44)45-29-23-39(24-30-45)41-31-42(36-56-35-41)40-32-46(58-52-15-7-3-11-48(52)49-12-4-8-16-53(49)58)34-47(33-40)59-54-17-9-5-13-50(54)51-14-6-10-18-55(51)59/h3-36H,1-2H3
InChIKeyXRKHJGONDGOXQM-UHFFFAOYSA-N
MW756.95 g/mol
LogP14.70
Rot. Bonds7

About N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59372069) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59372069
Molecular FormulaC55H40N4
Molecular Weight756.95 g/mol
Exact Mass756.33
IUPAC NameN-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C55H40N4/c1-37-19-25-43(26-20-37)57(44-27-21-38(2)22-28-44)45-29-23-39(24-30-45)41-31-42(36-56-35-41)40-32-46(58-52-15-7-3-11-48(52)49-12-4-8-16-53(49)58)34-47(33-40)59-54-17-9-5-13-50(54)51-14-6-10-18-55(51)59/h3-36H,1-2H3
InChIKeyXRKHJGONDGOXQM-UHFFFAOYSA-N
XLogP14.70
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)
CID 161167735
9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
9-[3-carbazol-9-yl-5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
CID 160870550
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
9-[4-(5-methyl-3-pyridinyl)phenyl]carbazole
CID 58151158
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59372069) is N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1.
What is the InChIKey of N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is XRKHJGONDGOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-37-19-25-43(26-20-37)57(44-27-21-38(2)22-28-44)45-29-23-39(24-30-45)41-31-42(36-56-35-41)40-32-46(58-52-15-7-3-11-48(52)49-12-4-8-16-53(49)58)34-47(33-40)59-54-17-9-5-13-50(54)51-14-6-10-18-55(51)59/h3-36H,1-2H3.
What are the key properties of N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 756.95 g/mol, XLogP of 14.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59372069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).