11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C49H31NO — CID 134189175

IUPAC11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESC1=CCC(n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3ccc4c(c32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)C=C1
InChIInChI=1S/C49H31NO/c1-2-13-31(14-3-1)50-44-28-25-30(32-19-12-20-39-36-18-7-11-24-45(36)51-48(32)39)29-40(44)38-27-26-37-35-17-6-10-23-43(35)49(46(37)47(38)50)41-21-8-4-15-33(41)34-16-5-9-22-42(34)49/h1-13,15-29,31H,14H2
InChIKeyPROHXCNURYJETC-UHFFFAOYSA-N
MW649.79 g/mol
LogP12.76
Rot. Bonds2

About 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 134189175) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID134189175
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC Name11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESC1=CCC(n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3ccc4c(c32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)C=C1
InChIInChI=1S/C49H31NO/c1-2-13-31(14-3-1)50-44-28-25-30(32-19-12-20-39-36-18-7-11-24-45(36)51-48(32)39)29-40(44)38-27-26-37-35-17-6-10-23-43(35)49(46(37)47(38)50)41-21-8-4-15-33(41)34-16-5-9-22-42(34)49/h1-13,15-29,31H,14H2
InChIKeyPROHXCNURYJETC-UHFFFAOYSA-N
XLogP12.76
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
5-cyclohexa-2,4-dien-1-yl-2-[(10Z)-13,13-dimethyl-2-methylidene-9-phenyl-9-azatetracyclo[10.7.0.03,8.014,19]nonadeca-1(12),3(8),4,6,10,14,16,18-octaen-6-yl]-[1]benzofuro[3,2-c]carbazole
CID 145140874
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane
CID 169044622
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole
CID 123809442

Frequently Asked Questions

What is the IUPAC name of 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 134189175) is 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] is C1=CCC(n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3ccc4c(c32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)C=C1.
What is the InChIKey of 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is PROHXCNURYJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-13-31(14-3-1)50-44-28-25-30(32-19-12-20-39-36-18-7-11-24-45(36)51-48(32)39)29-40(44)38-27-26-37-35-17-6-10-23-43(35)49(46(37)47(38)50)41-21-8-4-15-33(41)34-16-5-9-22-42(34)49/h1-13,15-29,31H,14H2.
What are the key properties of 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 649.79 g/mol, XLogP of 12.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 134189175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).