N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

C65H41FN2O — CID 121357412

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)Oc5cccc7cccc-6c57)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc32)cc1
InChIInChI=1S/C65H41FN2O/c66-47-28-32-49(33-29-47)68-60-23-10-8-20-54(60)55-36-27-44(39-61(55)68)42-25-30-48(31-26-42)67(51-35-38-56-57-21-11-13-43-14-12-24-62(64(43)57)69-63(56)41-51)50-34-37-53-52-19-7-9-22-58(52)65(59(53)40-50,45-15-3-1-4-16-45)46-17-5-2-6-18-46/h1-41H
InChIKeyGEGGRGBGQZIYCT-UHFFFAOYSA-N
MW885.05 g/mol
LogP17.35
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (PubChem CID 121357412) has the molecular formula C65H41FN2O and a molecular weight of 885.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
PubChem CID121357412
Molecular FormulaC65H41FN2O
Molecular Weight885.05 g/mol
Exact Mass884.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)Oc5cccc7cccc-6c57)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc32)cc1
InChIInChI=1S/C65H41FN2O/c66-47-28-32-49(33-29-47)68-60-23-10-8-20-54(60)55-36-27-44(39-61(55)68)42-25-30-48(31-26-42)67(51-35-38-56-57-21-11-13-43-14-12-24-62(64(43)57)69-63(56)41-51)50-34-37-53-52-19-7-9-22-58(52)65(59(53)40-50,45-15-3-1-4-16-45)46-17-5-2-6-18-46/h1-41H
InChIKeyGEGGRGBGQZIYCT-UHFFFAOYSA-N
XLogP17.35
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.05
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (CID 121357412) is N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)Oc5cccc7cccc-6c57)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The InChIKey is GEGGRGBGQZIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41FN2O/c66-47-28-32-49(33-29-47)68-60-23-10-8-20-54(60)55-36-27-44(39-61(55)68)42-25-30-48(31-26-42)67(51-35-38-56-57-21-11-13-43-14-12-24-62(64(43)57)69-63(56)41-51)50-34-37-53-52-19-7-9-22-58(52)65(59(53)40-50,45-15-3-1-4-16-45)46-17-5-2-6-18-46/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine has a molecular weight of 885.05 g/mol, XLogP of 17.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is sourced from PubChem (CID 121357412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).