N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene

C61H48N2 — CID 145407645

IUPACN-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
SMILESCc1cccc2ccccc12.Cc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1C
InChIInChI=1S/C50H38N2.C11H10/c1-35-13-6-7-18-45(35)46-32-31-44(33-36(46)2)51(41-27-23-38(24-28-41)37-14-4-3-5-15-37)43-17-12-16-40(34-43)39-25-29-42(30-26-39)52-49-21-10-8-19-47(49)48-20-9-11-22-50(48)52;1-9-5-4-7-10-6-2-3-8-11(9)10/h3-34H,1-2H3;2-8H,1H3
InChIKeyMCXPHPAAWYGHMB-UHFFFAOYSA-N
MW809.07 g/mol
LogP17.02
Rot. Bonds7

About N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene

N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene (PubChem CID 145407645) has the molecular formula C61H48N2 and a molecular weight of 809.07 g/mol. Its IUPAC name is N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene.

Molecular Properties

Compound NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
PubChem CID145407645
Molecular FormulaC61H48N2
Molecular Weight809.07 g/mol
Exact Mass808.38
IUPAC NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
SMILESCc1cccc2ccccc12.Cc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1C
InChIInChI=1S/C50H38N2.C11H10/c1-35-13-6-7-18-45(35)46-32-31-44(33-36(46)2)51(41-27-23-38(24-28-41)37-14-4-3-5-15-37)43-17-12-16-40(34-43)39-25-29-42(30-26-39)52-49-21-10-8-19-47(49)48-20-9-11-22-50(48)52;1-9-5-4-7-10-6-2-3-8-11(9)10/h3-34H,1-2H3;2-8H,1H3
InChIKeyMCXPHPAAWYGHMB-UHFFFAOYSA-N
XLogP17.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.07
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]aniline;3-methyl-4-[10-[2-methyl-4-(N-phenylanilino)phenyl]-2,6-dinaphthalen-1-ylanthracen-9-yl]-N,N-diphenylaniline
CID 157342291
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121337606
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene?
The IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene (CID 145407645) is N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene.
What is the SMILES notation for N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene?
The canonical SMILES for N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene is Cc1cccc2ccccc12.Cc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1C.
What is the InChIKey of N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene?
The InChIKey is MCXPHPAAWYGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2.C11H10/c1-35-13-6-7-18-45(35)46-32-31-44(33-36(46)2)51(41-27-23-38(24-28-41)37-14-4-3-5-15-37)43-17-12-16-40(34-43)39-25-29-42(30-26-39)52-49-21-10-8-19-47(49)48-20-9-11-22-50(48)52;1-9-5-4-7-10-6-2-3-8-11(9)10/h3-34H,1-2H3;2-8H,1H3.
What are the key properties of N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene?
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene has a molecular weight of 809.07 g/mol, XLogP of 17.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene is sourced from PubChem (CID 145407645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).