(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine

C40H33N3 — CID 90270103

IUPAC(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine
SMILESN/C(=C\[C@H](c1ccc(-c2ccccc2)cc1)C(N)n1c2ccccc2c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H33N3/c41-37(33-25-21-31(22-26-33)29-13-5-2-6-14-29)27-36(32-23-19-30(20-24-32)28-11-3-1-4-12-28)40(42)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,36,40H,41-42H2/b37-27-/t36-,40?/m1/s1
InChIKeyAHYMEPBVBWGGSW-YTWZUEMNSA-N
MW555.73 g/mol
LogP9.37
Rot. Bonds7

About (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine

(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine (PubChem CID 90270103) has the molecular formula C40H33N3 and a molecular weight of 555.73 g/mol. Its IUPAC name is (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine
PubChem CID90270103
Molecular FormulaC40H33N3
Molecular Weight555.73 g/mol
Exact Mass555.27
IUPAC Name(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine
SMILESN/C(=C\[C@H](c1ccc(-c2ccccc2)cc1)C(N)n1c2ccccc2c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H33N3/c41-37(33-25-21-31(22-26-33)29-13-5-2-6-14-29)27-36(32-23-19-30(20-24-32)28-11-3-1-4-12-28)40(42)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,36,40H,41-42H2/b37-27-/t36-,40?/m1/s1
InChIKeyAHYMEPBVBWGGSW-YTWZUEMNSA-N
XLogP9.37
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.73
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine
CID 135245358
9-(1-phenylethyl)carbazole
CID 154375313
(Z)-1-[3-[3-(15,15-dimethyl-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-12-yl)phenyl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
CID 145299838
(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
CID 145327246
9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649951
(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine
CID 129228002
1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
CID 144542320
methanamine;(Z)-3-[3-[4-(2-methylsulfanylnaphthalen-1-yl)phenyl]phenyl]-3-phenyl-1-(4-phenylphenyl)prop-1-en-1-amine
CID 142293828
(4R)-4,5-diamino-5-oxo-2-(4-phenylbenzoyl)pentanoic acid
CID 154499506
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139542507

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine?
The IUPAC name of (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine (CID 90270103) is (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine?
The canonical SMILES for (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine is N/C(=C\[C@H](c1ccc(-c2ccccc2)cc1)C(N)n1c2ccccc2c2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine?
The InChIKey is AHYMEPBVBWGGSW-YTWZUEMNSA-N. The full InChI is InChI=1S/C40H33N3/c41-37(33-25-21-31(22-26-33)29-13-5-2-6-14-29)27-36(32-23-19-30(20-24-32)28-11-3-1-4-12-28)40(42)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,36,40H,41-42H2/b37-27-/t36-,40?/m1/s1.
What are the key properties of (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine?
(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine has a molecular weight of 555.73 g/mol, XLogP of 9.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine is sourced from PubChem (CID 90270103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).