5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine

C53H35FN2O — CID 121357331

IUPAC5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccc(F)cc5)c5ccc6c7c(cccc57)Oc5ccccc5-6)cc4c4cc5ccccc5cc43)cc21
InChIInChI=1S/C53H35FN2O/c1-53(2)45-15-7-5-12-38(45)39-24-22-37(31-46(39)53)56-48-26-23-36(30-44(48)43-28-32-10-3-4-11-33(32)29-49(43)56)55(35-20-18-34(54)19-21-35)47-27-25-41-40-13-6-8-16-50(40)57-51-17-9-14-42(47)52(41)51/h3-31H,1-2H3
InChIKeyKXUIIRSUCFABDW-UHFFFAOYSA-N
MW734.87 g/mol
LogP14.78
Rot. Bonds4

About 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine

5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine (PubChem CID 121357331) has the molecular formula C53H35FN2O and a molecular weight of 734.87 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
PubChem CID121357331
Molecular FormulaC53H35FN2O
Molecular Weight734.87 g/mol
Exact Mass734.27
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccc(F)cc5)c5ccc6c7c(cccc57)Oc5ccccc5-6)cc4c4cc5ccccc5cc43)cc21
InChIInChI=1S/C53H35FN2O/c1-53(2)45-15-7-5-12-38(45)39-24-22-37(31-46(39)53)56-48-26-23-36(30-44(48)43-28-32-10-3-4-11-33(32)29-49(43)56)55(35-20-18-34(54)19-21-35)47-27-25-41-40-13-6-8-16-50(40)57-51-17-9-14-42(47)52(41)51/h3-31H,1-2H3
InChIKeyKXUIIRSUCFABDW-UHFFFAOYSA-N
XLogP14.78
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.87
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine (CID 121357331) is 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(N(c5ccc(F)cc5)c5ccc6c7c(cccc57)Oc5ccccc5-6)cc4c4cc5ccccc5cc43)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine?
The InChIKey is KXUIIRSUCFABDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35FN2O/c1-53(2)45-15-7-5-12-38(45)39-24-22-37(31-46(39)53)56-48-26-23-36(30-44(48)43-28-32-10-3-4-11-33(32)29-49(43)56)55(35-20-18-34(54)19-21-35)47-27-25-41-40-13-6-8-16-50(40)57-51-17-9-14-42(47)52(41)51/h3-31H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine?
5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine has a molecular weight of 734.87 g/mol, XLogP of 14.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine is sourced from PubChem (CID 121357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).