20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene

C51H35NO — CID 134580579

IUPAC20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccccc4c4ccccc4c4ccccc43)ccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C51H35NO/c1-51(2)43-26-11-7-23-42(43)48-46(31-30-39(49(48)51)41-25-15-24-40-38-22-10-14-29-47(38)53-50(40)41)52-44-27-12-8-20-36(44)34-18-5-3-16-32(34)33-17-4-6-19-35(33)37-21-9-13-28-45(37)52/h3-31H,1-2H3
InChIKeyKYXGASBHJHYPFR-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.09
Rot. Bonds2

About 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene

20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene (PubChem CID 134580579) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene.

Molecular Properties

Compound Name20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
PubChem CID134580579
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccccc4c4ccccc4c4ccccc43)ccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C51H35NO/c1-51(2)43-26-11-7-23-42(43)48-46(31-30-39(49(48)51)41-25-15-24-40-38-22-10-14-29-47(38)53-50(40)41)52-44-27-12-8-20-36(44)34-18-5-3-16-32(34)33-17-4-6-19-35(33)37-21-9-13-28-45(37)52/h3-31H,1-2H3
InChIKeyKYXGASBHJHYPFR-UHFFFAOYSA-N
XLogP14.09
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene with MolForge

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Related Compounds

9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634892
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole
CID 159288300
18,18-dimethyl-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 130211729
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
CID 90191421
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112

Frequently Asked Questions

What is the IUPAC name of 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The IUPAC name of 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene (CID 134580579) is 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene.
What is the SMILES notation for 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The canonical SMILES for 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccccc4c4ccccc4c4ccccc43)ccc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The InChIKey is KYXGASBHJHYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)43-26-11-7-23-42(43)48-46(31-30-39(49(48)51)41-25-15-24-40-38-22-10-14-29-47(38)53-50(40)41)52-44-27-12-8-20-36(44)34-18-5-3-16-32(34)33-17-4-6-19-35(33)37-21-9-13-28-45(37)52/h3-31H,1-2H3.
What are the key properties of 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene has a molecular weight of 677.85 g/mol, XLogP of 14.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene is sourced from PubChem (CID 134580579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).