12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]

C50H39NO — CID 164819456

IUPAC12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]
SMILESCC1CC2CCC3(c4ccccc4-c4cc5c6c7ccccc7ccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5cc43)C(C1)C2
InChIInChI=1S/C50H39NO/c1-30-24-31-22-23-50(34(25-30)26-31)43-18-6-4-14-38(43)41-28-42-46(29-44(41)50)51(45-21-20-32-10-2-3-13-36(32)48(42)45)35-12-8-11-33(27-35)37-16-9-17-40-39-15-5-7-19-47(39)52-49(37)40/h2-21,27-31,34H,22-26H2,1H3
InChIKeyYISZMEFJPVCVNS-UHFFFAOYSA-N
MW669.87 g/mol
LogP13.62
Rot. Bonds2

About 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]

12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] (PubChem CID 164819456) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane].

Molecular Properties

Compound Name12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]
PubChem CID164819456
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC Name12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]
SMILESCC1CC2CCC3(c4ccccc4-c4cc5c6c7ccccc7ccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5cc43)C(C1)C2
InChIInChI=1S/C50H39NO/c1-30-24-31-22-23-50(34(25-30)26-31)43-18-6-4-14-38(43)41-28-42-46(29-44(41)50)51(45-21-20-32-10-2-3-13-36(32)48(42)45)35-12-8-11-33(27-35)37-16-9-17-40-39-15-5-7-19-47(39)52-49(37)40/h2-21,27-31,34H,22-26H2,1H3
InChIKeyYISZMEFJPVCVNS-UHFFFAOYSA-N
XLogP13.62
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] with MolForge

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Related Compounds

3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134516497
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263
12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118580846
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
12-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-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 129149698
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 118282673
8-dibenzofuran-4-yl-7-[3-(3-triphenylen-2-ylphenyl)phenyl]benzo[c]carbazole
CID 142570095
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]?
The IUPAC name of 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] (CID 164819456) is 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane].
What is the SMILES notation for 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]?
The canonical SMILES for 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] is CC1CC2CCC3(c4ccccc4-c4cc5c6c7ccccc7ccc6n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5cc43)C(C1)C2.
What is the InChIKey of 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]?
The InChIKey is YISZMEFJPVCVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-30-24-31-22-23-50(34(25-30)26-31)43-18-6-4-14-38(43)41-28-42-46(29-44(41)50)51(45-21-20-32-10-2-3-13-36(32)48(42)45)35-12-8-11-33(27-35)37-16-9-17-40-39-15-5-7-19-47(39)52-49(37)40/h2-21,27-31,34H,22-26H2,1H3.
What are the key properties of 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]?
12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] has a molecular weight of 669.87 g/mol, XLogP of 13.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane] is sourced from PubChem (CID 164819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).