3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine

C34H29N3 — CID 118674993

IUPAC3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine
SMILESC/C(=C\NCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c(N)cc32)c1)c1ccccc1
InChIInChI=1S/C34H29N3/c1-24(26-12-4-2-5-13-26)22-36-23-25-11-10-16-28(19-25)37-33-18-9-8-17-29(33)31-20-30(32(35)21-34(31)37)27-14-6-3-7-15-27/h2-22,36H,23,35H2,1H3/b24-22+
InChIKeySVJRBQYYKSTUGD-ZNTNEXAZSA-N
MW479.63 g/mol
LogP8.18
Rot. Bonds6

About 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine

3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine (PubChem CID 118674993) has the molecular formula C34H29N3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine.

Molecular Properties

Compound Name3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine
PubChem CID118674993
Molecular FormulaC34H29N3
Molecular Weight479.63 g/mol
Exact Mass479.24
IUPAC Name3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine
SMILESC/C(=C\NCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c(N)cc32)c1)c1ccccc1
InChIInChI=1S/C34H29N3/c1-24(26-12-4-2-5-13-26)22-36-23-25-11-10-16-28(19-25)37-33-18-9-8-17-29(33)31-20-30(32(35)21-34(31)37)27-14-6-3-7-15-27/h2-22,36H,23,35H2,1H3/b24-22+
InChIKeySVJRBQYYKSTUGD-ZNTNEXAZSA-N
XLogP8.18
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide
CID 90076048
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazol-2-ol
CID 90310258
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 154952653
5,11-bis(3-ethylphenyl)indolo[3,2-b]carbazole
CID 130417419
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine?
The IUPAC name of 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine (CID 118674993) is 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine.
What is the SMILES notation for 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine?
The canonical SMILES for 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine is C/C(=C\NCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c(N)cc32)c1)c1ccccc1.
What is the InChIKey of 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine?
The InChIKey is SVJRBQYYKSTUGD-ZNTNEXAZSA-N. The full InChI is InChI=1S/C34H29N3/c1-24(26-12-4-2-5-13-26)22-36-23-25-11-10-16-28(19-25)37-33-18-9-8-17-29(33)31-20-30(32(35)21-34(31)37)27-14-6-3-7-15-27/h2-22,36H,23,35H2,1H3/b24-22+.
What are the key properties of 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine?
3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine has a molecular weight of 479.63 g/mol, XLogP of 8.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine is sourced from PubChem (CID 118674993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).