3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole

C32H29N — CID 144943286

IUPAC3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole
SMILESC=C/C=C(\C=C(\C)C(=C)/C=C\C=C/C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H29N/c1-5-7-9-15-24(3)25(4)22-26(14-6-2)27-20-21-32-30(23-27)29-18-12-13-19-31(29)33(32)28-16-10-8-11-17-28/h5-23H,2-3H2,1,4H3/b7-5-,15-9-,25-22+,26-14+
InChIKeyDTIPEIFOYSJCBC-MDWXTRFOSA-N
MW427.59 g/mol
LogP8.99
Rot. Bonds7

About 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole

3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole (PubChem CID 144943286) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole
PubChem CID144943286
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole
SMILESC=C/C=C(\C=C(\C)C(=C)/C=C\C=C/C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H29N/c1-5-7-9-15-24(3)25(4)22-26(14-6-2)27-20-21-32-30(23-27)29-18-12-13-19-31(29)33(32)28-16-10-8-11-17-28/h5-23H,2-3H2,1,4H3/b7-5-,15-9-,25-22+,26-14+
InChIKeyDTIPEIFOYSJCBC-MDWXTRFOSA-N
XLogP8.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylcarbazol-3-yl]boronic acid
CID 177036038
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
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
3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
CID 123470872
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
CID 144875939
16-[(3E)-hexa-1,3,5-trien-3-yl]-20-(9,9'-spirobi[fluorene]-2-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 142363382
ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
CID 129022099
10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 134188138
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole (CID 144943286) is 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole is C=C/C=C(\C=C(\C)C(=C)/C=C\C=C/C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole?
The InChIKey is DTIPEIFOYSJCBC-MDWXTRFOSA-N. The full InChI is InChI=1S/C32H29N/c1-5-7-9-15-24(3)25(4)22-26(14-6-2)27-20-21-32-30(23-27)29-18-12-13-19-31(29)33(32)28-16-10-8-11-17-28/h5-23H,2-3H2,1,4H3/b7-5-,15-9-,25-22+,26-14+.
What are the key properties of 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole?
3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole has a molecular weight of 427.59 g/mol, XLogP of 8.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 144943286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).