N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline

C42H36N2 — CID 144976368

IUPACN-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline
SMILESC=C/C(Nc1ccccc1)=C(\C=C(/C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)C(=C)/C=C\C=C/C
InChIInChI=1S/C42H36N2/c1-5-7-9-16-30(3)38(40(6-2)43-35-19-10-8-11-20-35)27-31(4)33-24-26-42-39(29-33)37-21-14-15-22-41(37)44(42)36-25-23-32-17-12-13-18-34(32)28-36/h5-29,43H,2-3H2,1,4H3/b7-5-,16-9-,31-27+,40-38-
InChIKeyXLAXRJCMONXCNJ-WFHDEROCSA-N
MW568.76 g/mol
LogP11.58
Rot. Bonds9

About N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline

N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline (PubChem CID 144976368) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline.

Molecular Properties

Compound NameN-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline
PubChem CID144976368
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC NameN-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline
SMILESC=C/C(Nc1ccccc1)=C(\C=C(/C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)C(=C)/C=C\C=C/C
InChIInChI=1S/C42H36N2/c1-5-7-9-16-30(3)38(40(6-2)43-35-19-10-8-11-20-35)27-31(4)33-24-26-42-39(29-33)37-21-14-15-22-41(37)44(42)36-25-23-32-17-12-13-18-34(32)28-36/h5-29,43H,2-3H2,1,4H3/b7-5-,16-9-,31-27+,40-38-
InChIKeyXLAXRJCMONXCNJ-WFHDEROCSA-N
XLogP11.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole
CID 144943286
N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine
CID 129103361
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
CID 135258643
N-buta-1,3-dien-2-ylnaphthalen-2-amine;ethane;(3Z)-2-methylhexa-1,3,5-triene;(2E,4Z)-N-(9-naphthalen-2-yl-4-phenylcarbazol-3-yl)-3-(3-phenylphenyl)hexa-2,4-dien-1-imine
CID 142481934
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
CID 144541208
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
4-[(E)-1-[2-ethenyl-1-[7-[(E,4Z)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]naphthalen-2-yl]indol-3-yl]but-1-en-2-yl]-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-[(2Z,4Z)-hexa-2,4-dienyl]aniline
CID 155471855
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline?
The IUPAC name of N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline (CID 144976368) is N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline.
What is the SMILES notation for N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline?
The canonical SMILES for N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline is C=C/C(Nc1ccccc1)=C(\C=C(/C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1)C(=C)/C=C\C=C/C.
What is the InChIKey of N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline?
The InChIKey is XLAXRJCMONXCNJ-WFHDEROCSA-N. The full InChI is InChI=1S/C42H36N2/c1-5-7-9-16-30(3)38(40(6-2)43-35-19-10-8-11-20-35)27-31(4)33-24-26-42-39(29-33)37-21-14-15-22-41(37)44(42)36-25-23-32-17-12-13-18-34(32)28-36/h5-29,43H,2-3H2,1,4H3/b7-5-,16-9-,31-27+,40-38-.
What are the key properties of N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline?
N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline has a molecular weight of 568.76 g/mol, XLogP of 11.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6Z,8Z)-5-methylidene-4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)prop-1-enyl]deca-1,3,6,8-tetraen-3-yl]aniline is sourced from PubChem (CID 144976368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).