N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C57H41NO — CID 176597895

IUPACN-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5cccc(-c6ccccc6)c5)cccc3-c3ccccc3O4)cc21
InChIInChI=1S/C57H41NO/c1-57(2)52-28-11-9-24-47(52)48-32-30-45(37-53(48)57)58(43-23-14-21-41(35-43)39-18-7-4-8-19-39)44-31-33-55-51(36-44)56-46(26-15-27-50(56)49-25-10-12-29-54(49)59-55)42-22-13-20-40(34-42)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyQKNAZZICKCPUPS-UHFFFAOYSA-N
MW755.96 g/mol
LogP15.90
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 176597895) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
PubChem CID176597895
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5cccc(-c6ccccc6)c5)cccc3-c3ccccc3O4)cc21
InChIInChI=1S/C57H41NO/c1-57(2)52-28-11-9-24-47(52)48-32-30-45(37-53(48)57)58(43-23-14-21-41(35-43)39-18-7-4-8-19-39)44-31-33-55-51(36-44)56-46(26-15-27-50(56)49-25-10-12-29-54(49)59-55)42-22-13-20-40(34-42)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyQKNAZZICKCPUPS-UHFFFAOYSA-N
XLogP15.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 176597519
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
CID 176597824
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597633
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
9,9-dimethyl-N-phenyl-N-[2-phenyl-3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167293244
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 166906531
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9(14),10,12,16,18,20,22-undecaen-11-amine
CID 171757601
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 176597895) is N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5cccc(-c6ccccc6)c5)cccc3-c3ccccc3O4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The InChIKey is QKNAZZICKCPUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)52-28-11-9-24-47(52)48-32-30-45(37-53(48)57)58(43-23-14-21-41(35-43)39-18-7-4-8-19-39)44-31-33-55-51(36-44)56-46(26-15-27-50(56)49-25-10-12-29-54(49)59-55)42-22-13-20-40(34-42)38-16-5-3-6-17-38/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 755.96 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 176597895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).