N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine

C55H35NOS — CID 164972725

IUPACN-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3c4ccc4oc5ccccc5c43)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H35NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)46-26-12-10-22-44(46)51-47(55)27-15-28-48(51)56(39-20-8-3-9-21-39)40-32-30-36(31-33-40)41-24-14-25-42-43-34-35-50-52(54(43)58-53(41)42)45-23-11-13-29-49(45)57-50/h1-35H
InChIKeyXPCJUYWSWASXMP-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.45
Rot. Bonds6

About N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine

N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine (PubChem CID 164972725) has the molecular formula C55H35NOS and a molecular weight of 757.96 g/mol. Its IUPAC name is N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
PubChem CID164972725
Molecular FormulaC55H35NOS
Molecular Weight757.96 g/mol
Exact Mass757.24
IUPAC NameN-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3c4ccc4oc5ccccc5c43)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H35NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)46-26-12-10-22-44(46)51-47(55)27-15-28-48(51)56(39-20-8-3-9-21-39)40-32-30-36(31-33-40)41-24-14-25-42-43-34-35-50-52(54(43)58-53(41)42)45-23-11-13-29-49(45)57-50/h1-35H
InChIKeyXPCJUYWSWASXMP-UHFFFAOYSA-N
XLogP15.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine with MolForge

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Related Compounds

N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164986381
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164956261
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164956471
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 159716995
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine?
The IUPAC name of N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine (CID 164972725) is N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine.
What is the SMILES notation for N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine?
The canonical SMILES for N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine is c1ccc(N(c2ccc(-c3cccc4c3sc3c4ccc4oc5ccccc5c43)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine?
The InChIKey is XPCJUYWSWASXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)46-26-12-10-22-44(46)51-47(55)27-15-28-48(51)56(39-20-8-3-9-21-39)40-32-30-36(31-33-40)41-24-14-25-42-43-34-35-50-52(54(43)58-53(41)42)45-23-11-13-29-49(45)57-50/h1-35H.
What are the key properties of N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine?
N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine has a molecular weight of 757.96 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine is sourced from PubChem (CID 164972725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).