N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

C66H54N4 — CID 59184250

IUPACN-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-n3c(C)c(C)c4cc(-c5ccc6c(c5)c(C)c(C)n6-c5ccc(N(c6ccc(C)cc6)c6ccc7ccccc7c6)cc5)ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H54N4/c1-43-15-23-57(24-16-43)69(61-27-19-49-11-7-9-13-51(49)39-61)59-33-29-55(30-34-59)67-47(5)45(3)63-41-53(21-37-65(63)67)54-22-38-66-64(42-54)46(4)48(6)68(66)56-31-35-60(36-32-56)70(58-25-17-44(2)18-26-58)62-28-20-50-12-8-10-14-52(50)40-62/h7-42H,1-6H3
InChIKeyDEJYIKYQELQKMU-UHFFFAOYSA-N
MW903.19 g/mol
LogP18.34
Rot. Bonds9

About N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (PubChem CID 59184250) has the molecular formula C66H54N4 and a molecular weight of 903.19 g/mol. Its IUPAC name is N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
PubChem CID59184250
Molecular FormulaC66H54N4
Molecular Weight903.19 g/mol
Exact Mass902.43
IUPAC NameN-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-n3c(C)c(C)c4cc(-c5ccc6c(c5)c(C)c(C)n6-c5ccc(N(c6ccc(C)cc6)c6ccc7ccccc7c6)cc5)ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H54N4/c1-43-15-23-57(24-16-43)69(61-27-19-49-11-7-9-13-51(49)39-61)59-33-29-55(30-34-59)67-47(5)45(3)63-41-53(21-37-65(63)67)54-22-38-66-64(42-54)46(4)48(6)68(66)56-31-35-60(36-32-56)70(58-25-17-44(2)18-26-58)62-28-20-50-12-8-10-14-52(50)40-62/h7-42H,1-6H3
InChIKeyDEJYIKYQELQKMU-UHFFFAOYSA-N
XLogP18.34
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.19
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-[5-[2,3-dimethyl-1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[5-[2,3-dimethyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N,4-diphenylaniline
CID 158168687
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175591
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (CID 59184250) is N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is Cc1ccc(N(c2ccc(-n3c(C)c(C)c4cc(-c5ccc6c(c5)c(C)c(C)n6-c5ccc(N(c6ccc(C)cc6)c6ccc7ccccc7c6)cc5)ccc43)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The InChIKey is DEJYIKYQELQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N4/c1-43-15-23-57(24-16-43)69(61-27-19-49-11-7-9-13-51(49)39-61)59-33-29-55(30-34-59)67-47(5)45(3)63-41-53(21-37-65(63)67)54-22-38-66-64(42-54)46(4)48(6)68(66)56-31-35-60(36-32-56)70(58-25-17-44(2)18-26-58)62-28-20-50-12-8-10-14-52(50)40-62/h7-42H,1-6H3.
What are the key properties of N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine has a molecular weight of 903.19 g/mol, XLogP of 18.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 59184250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).