N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine

C64H48N4 — CID 163629458

IUPACN-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc(N(/C=C/c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(/C=C/N(c5ccccc5)c5cccc6ccccc56)ccc43)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C64H48N4/c1-45-26-32-51(33-27-45)65(52-34-28-46(2)29-35-52)40-38-47-30-36-63-58(42-47)56-21-8-10-23-61(56)67(63)53-18-13-19-54(44-53)68-62-24-11-9-22-57(62)59-43-48(31-37-64(59)68)39-41-66(50-16-4-3-5-17-50)60-25-12-15-49-14-6-7-20-55(49)60/h3-44H,1-2H3/b40-38+,41-39+
InChIKeyHUVMSALDXMGONP-QYGUTFKISA-N
MW873.12 g/mol
LogP17.27
Rot. Bonds10

About N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine

N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine (PubChem CID 163629458) has the molecular formula C64H48N4 and a molecular weight of 873.12 g/mol. Its IUPAC name is N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine
PubChem CID163629458
Molecular FormulaC64H48N4
Molecular Weight873.12 g/mol
Exact Mass872.39
IUPAC NameN-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc(N(/C=C/c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(/C=C/N(c5ccccc5)c5cccc6ccccc56)ccc43)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C64H48N4/c1-45-26-32-51(33-27-45)65(52-34-28-46(2)29-35-52)40-38-47-30-36-63-58(42-47)56-21-8-10-23-61(56)67(63)53-18-13-19-54(44-53)68-62-24-11-9-22-57(62)59-43-48(31-37-64(59)68)39-41-66(50-16-4-3-5-17-50)60-25-12-15-49-14-6-7-20-55(49)60/h3-44H,1-2H3/b40-38+,41-39+
InChIKeyHUVMSALDXMGONP-QYGUTFKISA-N
XLogP17.27
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.12
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
CID 148860377
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 158479839
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 162093292
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 163786005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine (CID 163629458) is N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine is Cc1ccc(N(/C=C/c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(/C=C/N(c5ccccc5)c5cccc6ccccc56)ccc43)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is HUVMSALDXMGONP-QYGUTFKISA-N. The full InChI is InChI=1S/C64H48N4/c1-45-26-32-51(33-27-45)65(52-34-28-46(2)29-35-52)40-38-47-30-36-63-58(42-47)56-21-8-10-23-61(56)67(63)53-18-13-19-54(44-53)68-62-24-11-9-22-57(62)59-43-48(31-37-64(59)68)39-41-66(50-16-4-3-5-17-50)60-25-12-15-49-14-6-7-20-55(49)60/h3-44H,1-2H3/b40-38+,41-39+.
What are the key properties of N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine?
N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 873.12 g/mol, XLogP of 17.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 163629458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).