3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole

C29H23N — CID 123470872

IUPAC3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
SMILESC=CC=C(C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C29H23N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25/h3-20H,1H2,2H3
InChIKeySDLZBVCZHRSQIJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP8.04
Rot. Bonds4

About 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole

3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole (PubChem CID 123470872) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
PubChem CID123470872
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
SMILESC=CC=C(C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C29H23N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25/h3-20H,1H2,2H3
InChIKeySDLZBVCZHRSQIJ-UHFFFAOYSA-N
XLogP8.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 58.04
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

9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
CID 144875939
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole?
The IUPAC name of 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole (CID 123470872) is 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole.
What is the SMILES notation for 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole?
The canonical SMILES for 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole is C=CC=C(C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole?
The InChIKey is SDLZBVCZHRSQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25/h3-20H,1H2,2H3.
What are the key properties of 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole?
3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole has a molecular weight of 385.51 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole is sourced from PubChem (CID 123470872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).