10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine

C34H28N2O — CID 134431762

IUPAC10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine
SMILESC1=CCCC(N2C3=CC=CCC3Oc3cc(C4C=Cc5c([nH]c6ccc7ccccc7c56)C4)ccc32)=C1
InChIInChI=1S/C34H28N2O/c1-2-9-25(10-3-1)36-30-12-6-7-13-32(30)37-33-21-24(16-19-31(33)36)23-14-17-27-29(20-23)35-28-18-15-22-8-4-5-11-26(22)34(27)28/h1-2,4-9,11-12,14-19,21,23,32,35H,3,10,13,20H2
InChIKeyGGYNYMPLXHZGSI-UHFFFAOYSA-N
MW480.61 g/mol
LogP8.32
Rot. Bonds2

About 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine

10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine (PubChem CID 134431762) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine.

Molecular Properties

Compound Name10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine
PubChem CID134431762
Molecular FormulaC34H28N2O
Molecular Weight480.61 g/mol
Exact Mass480.22
IUPAC Name10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine
SMILESC1=CCCC(N2C3=CC=CCC3Oc3cc(C4C=Cc5c([nH]c6ccc7ccccc7c56)C4)ccc32)=C1
InChIInChI=1S/C34H28N2O/c1-2-9-25(10-3-1)36-30-12-6-7-13-32(30)37-33-21-24(16-19-31(33)36)23-14-17-27-29(20-23)35-28-18-15-22-8-4-5-11-26(22)34(27)28/h1-2,4-9,11-12,14-19,21,23,32,35H,3,10,13,20H2
InChIKeyGGYNYMPLXHZGSI-UHFFFAOYSA-N
XLogP8.32
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole
CID 131998857
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CID 142377788
N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine
CID 163815140
N-(4-benzo[c]phenanthren-5-ylcyclohexa-2,4-dien-1-yl)-N-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-ylaniline
CID 170226556
18-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaene
CID 144963652
10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]
CID 135293740
3-naphthalen-2-yl-3H-benzo[f]chromene
CID 141117784
10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
CID 167515701
2-[6-[6-methylidene-5-(2-methylphenyl)-1,2,9,10-tetrahydrophenanthridin-9-yl]naphthalen-2-yl]benzo[h]quinoline
CID 129163110
21-cyclohexa-1,3-dien-1-yl-14-cyclohexa-2,4-dien-1-yl-14-phenyl-10-triphenylen-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 123247032
2-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,5-dien-1-ylphenoxazine
CID 142324160
12-[4-(2-cyclohexa-1,3-dien-1-yl-6-naphthalen-2-yl-3,4-dihydropyridin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146360526

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine?
The IUPAC name of 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine (CID 134431762) is 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine.
What is the SMILES notation for 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine?
The canonical SMILES for 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine is C1=CCCC(N2C3=CC=CCC3Oc3cc(C4C=Cc5c([nH]c6ccc7ccccc7c56)C4)ccc32)=C1.
What is the InChIKey of 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine?
The InChIKey is GGYNYMPLXHZGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-2-9-25(10-3-1)36-30-12-6-7-13-32(30)37-33-21-24(16-19-31(33)36)23-14-17-27-29(20-23)35-28-18-15-22-8-4-5-11-26(22)34(27)28/h1-2,4-9,11-12,14-19,21,23,32,35H,3,10,13,20H2.
What are the key properties of 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine?
10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine has a molecular weight of 480.61 g/mol, XLogP of 8.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine is sourced from PubChem (CID 134431762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).