N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine

C51H35NOS — CID 171050212

IUPACN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(cc5c4c3)sc3ccc(-c4ccccc4)cc36)cc21
InChIInChI=1S/C51H35NOS/c1-51(2)45-16-10-9-15-39(45)40-24-22-38(29-46(40)51)52(36-20-17-34(18-21-36)32-11-5-3-6-12-32)37-23-25-47-41(28-37)42-31-50-44(30-48(42)53-47)43-27-35(19-26-49(43)54-50)33-13-7-4-8-14-33/h3-31H,1-2H3
InChIKeyUHRKQAITFLGYEJ-UHFFFAOYSA-N
MW709.91 g/mol
LogP15.06
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine (PubChem CID 171050212) has the molecular formula C51H35NOS and a molecular weight of 709.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
PubChem CID171050212
Molecular FormulaC51H35NOS
Molecular Weight709.91 g/mol
Exact Mass709.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(cc5c4c3)sc3ccc(-c4ccccc4)cc36)cc21
InChIInChI=1S/C51H35NOS/c1-51(2)45-16-10-9-15-39(45)40-24-22-38(29-46(40)51)52(36-20-17-34(18-21-36)32-11-5-3-6-12-32)37-23-25-47-41(28-37)42-31-50-44(30-48(42)53-47)43-27-35(19-26-49(43)54-50)33-13-7-4-8-14-33/h3-31H,1-2H3
InChIKeyUHRKQAITFLGYEJ-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.91
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine (CID 171050212) is N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(cc5c4c3)sc3ccc(-c4ccccc4)cc36)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine?
The InChIKey is UHRKQAITFLGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NOS/c1-51(2)45-16-10-9-15-39(45)40-24-22-38(29-46(40)51)52(36-20-17-34(18-21-36)32-11-5-3-6-12-32)37-23-25-47-41(28-37)42-31-50-44(30-48(42)53-47)43-27-35(19-26-49(43)54-50)33-13-7-4-8-14-33/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine has a molecular weight of 709.91 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine is sourced from PubChem (CID 171050212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).