4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine

C57H37NO2S — CID 170536070

IUPAC4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C57H37NO2S/c1-57(2)44-23-10-6-18-37(44)38-28-27-35(33-45(38)57)58(46-24-11-7-17-36(46)34-15-4-3-5-16-34)47-30-29-40(42-22-14-21-41-39-19-9-13-26-51(39)61-56(41)42)53-54-50(60-55(47)53)32-31-49-52(54)43-20-8-12-25-48(43)59-49/h3-33H,1-2H3
InChIKeyCCTFUZFYFFMDNS-UHFFFAOYSA-N
MW800.00 g/mol
LogP16.96
Rot. Bonds5

About 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine

4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine (PubChem CID 170536070) has the molecular formula C57H37NO2S and a molecular weight of 800.00 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine
PubChem CID170536070
Molecular FormulaC57H37NO2S
Molecular Weight800.00 g/mol
Exact Mass799.25
IUPAC Name4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C57H37NO2S/c1-57(2)44-23-10-6-18-37(44)38-28-27-35(33-45(38)57)58(46-24-11-7-17-36(46)34-15-4-3-5-16-34)47-30-29-40(42-22-14-21-41-39-19-9-13-26-51(39)61-56(41)42)53-54-50(60-55(47)53)32-31-49-52(54)43-20-8-12-25-48(43)59-49/h3-33H,1-2H3
InChIKeyCCTFUZFYFFMDNS-UHFFFAOYSA-N
XLogP16.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.00
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine with MolForge

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Related Compounds

N-[4-(6-dibenzothiophen-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170536349
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160559778
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 160970830
N-(4-dibenzothiophen-4-ylphenyl)-N,12-bis(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163666528
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130465215
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;methane
CID 162027181
9,9-dimethyl-N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132714
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157394349
18-N-dibenzofuran-4-yl-5-N-(9,9-dimethylfluoren-2-yl)-12-methyl-18-N-phenyl-5-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260178
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433298
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(2-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzofuran-2,7-diamine
CID 147831247

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine?
The IUPAC name of 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine (CID 170536070) is 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine.
What is the SMILES notation for 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine?
The canonical SMILES for 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccc5oc6ccccc6c5c34)cc21.
What is the InChIKey of 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine?
The InChIKey is CCTFUZFYFFMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2S/c1-57(2)44-23-10-6-18-37(44)38-28-27-35(33-45(38)57)58(46-24-11-7-17-36(46)34-15-4-3-5-16-34)47-30-29-40(42-22-14-21-41-39-19-9-13-26-51(39)61-56(41)42)53-54-50(60-55(47)53)32-31-49-52(54)43-20-8-12-25-48(43)59-49/h3-33H,1-2H3.
What are the key properties of 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine?
4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine has a molecular weight of 800.00 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine is sourced from PubChem (CID 170536070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).