N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline

C44H40N4 — CID 44612353

IUPACN-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline
SMILESCc1cc(CNc2ccc(/C=C/c3ccc(NCc4cc(C)c5[nH]c6ccccc6c5c4C)cc3)cc2)c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C44H40N4/c1-27-23-33(29(3)41-37-9-5-7-11-39(37)47-43(27)41)25-45-35-19-15-31(16-20-35)13-14-32-17-21-36(22-18-32)46-26-34-24-28(2)44-42(30(34)4)38-10-6-8-12-40(38)48-44/h5-24,45-48H,25-26H2,1-4H3/b14-13+
InChIKeyZXRXMSBQYAHWSN-BUHFOSPRSA-N
MW624.83 g/mol
LogP11.58
Rot. Bonds8

About N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline

N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline (PubChem CID 44612353) has the molecular formula C44H40N4 and a molecular weight of 624.83 g/mol. Its IUPAC name is N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline
PubChem CID44612353
Molecular FormulaC44H40N4
Molecular Weight624.83 g/mol
Exact Mass624.33
IUPAC NameN-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline
SMILESCc1cc(CNc2ccc(/C=C/c3ccc(NCc4cc(C)c5[nH]c6ccccc6c5c4C)cc3)cc2)c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C44H40N4/c1-27-23-33(29(3)41-37-9-5-7-11-39(37)47-43(27)41)25-45-35-19-15-31(16-20-35)13-14-32-17-21-36(22-18-32)46-26-34-24-28(2)44-42(30(34)4)38-10-6-8-12-40(38)48-44/h5-24,45-48H,25-26H2,1-4H3/b14-13+
InChIKeyZXRXMSBQYAHWSN-BUHFOSPRSA-N
XLogP11.58
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 511.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]sulfanylaniline
CID 44612239
methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
CID 102258357
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
CID 71764616
2,3,5-trimethyl-6H-thieno[3,2-c]carbazole
CID 11448489
4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587133
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine
CID 68822595
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
CID 169403288

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline?
The IUPAC name of N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline (CID 44612353) is N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline.
What is the SMILES notation for N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline?
The canonical SMILES for N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline is Cc1cc(CNc2ccc(/C=C/c3ccc(NCc4cc(C)c5[nH]c6ccccc6c5c4C)cc3)cc2)c(C)c2c1[nH]c1ccccc12.
What is the InChIKey of N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline?
The InChIKey is ZXRXMSBQYAHWSN-BUHFOSPRSA-N. The full InChI is InChI=1S/C44H40N4/c1-27-23-33(29(3)41-37-9-5-7-11-39(37)47-43(27)41)25-45-35-19-15-31(16-20-35)13-14-32-17-21-36(22-18-32)46-26-34-24-28(2)44-42(30(34)4)38-10-6-8-12-40(38)48-44/h5-24,45-48H,25-26H2,1-4H3/b14-13+.
What are the key properties of N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline?
N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline has a molecular weight of 624.83 g/mol, XLogP of 11.58, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline is sourced from PubChem (CID 44612353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).