10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole

C33H23NO — CID 142572012

IUPAC10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole
SMILESC=C/C=C\c1c(C)ccc2oc3c(-c4cccc5c4[nH]c4c6ccccc6ccc54)cccc3c12
InChIInChI=1S/C33H23NO/c1-3-4-10-22-20(2)16-19-29-30(22)28-15-8-14-27(33(28)35-29)25-13-7-12-24-26-18-17-21-9-5-6-11-23(21)31(26)34-32(24)25/h3-19,34H,1H2,2H3/b10-4-
InChIKeyONEOIUCBKXDPHF-WMZJFQQLSA-N
MW449.55 g/mol
LogP9.55
Rot. Bonds3

About 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole

10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole (PubChem CID 142572012) has the molecular formula C33H23NO and a molecular weight of 449.55 g/mol. Its IUPAC name is 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole.

Molecular Properties

Compound Name10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole
PubChem CID142572012
Molecular FormulaC33H23NO
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC Name10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole
SMILESC=C/C=C\c1c(C)ccc2oc3c(-c4cccc5c4[nH]c4c6ccccc6ccc54)cccc3c12
InChIInChI=1S/C33H23NO/c1-3-4-10-22-20(2)16-19-29-30(22)28-15-8-14-27(33(28)35-29)25-13-7-12-24-26-18-17-21-9-5-6-11-23(21)31(26)34-32(24)25/h3-19,34H,1H2,2H3/b10-4-
InChIKeyONEOIUCBKXDPHF-WMZJFQQLSA-N
XLogP9.55
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(1Z)-buta-1,3-dienyl]-7-methyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 166843978
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
5-[(1Z)-buta-1,3-dienyl]-6-methyl-7-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 145276960
10-(3-dibenzofuran-1-ylphenyl)-11H-benzo[a]carbazole
CID 142569588
10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole
CID 142569615
1-N,6-N-bis(2,6-dimethyl-3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 118333193
3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 131979422
3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
CID 155417425
(2E,3Z)-2,3-di(ethylidene)-1H-benzo[g]indole
CID 167215822
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156542134
2'-[(1Z)-buta-1,3-dienyl]-3'-methyl-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-triphenylen-2-ylspiro[fluorene-9,1'-indene]-2-amine
CID 130311376

Frequently Asked Questions

What is the IUPAC name of 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole?
The IUPAC name of 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole (CID 142572012) is 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole.
What is the SMILES notation for 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole?
The canonical SMILES for 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole is C=C/C=C\c1c(C)ccc2oc3c(-c4cccc5c4[nH]c4c6ccccc6ccc54)cccc3c12.
What is the InChIKey of 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole?
The InChIKey is ONEOIUCBKXDPHF-WMZJFQQLSA-N. The full InChI is InChI=1S/C33H23NO/c1-3-4-10-22-20(2)16-19-29-30(22)28-15-8-14-27(33(28)35-29)25-13-7-12-24-26-18-17-21-9-5-6-11-23(21)31(26)34-32(24)25/h3-19,34H,1H2,2H3/b10-4-.
What are the key properties of 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole?
10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole has a molecular weight of 449.55 g/mol, XLogP of 9.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[(1Z)-buta-1,3-dienyl]-8-methyldibenzofuran-4-yl]-11H-benzo[a]carbazole is sourced from PubChem (CID 142572012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).