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

C66H45NO2S — CID 163666528

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4cc4oc5ccccc5c34)cc21
InChIInChI=1S/C66H45NO2S/c1-65(2)51-21-9-5-15-43(51)45-33-29-39(35-53(45)65)60-62-49-18-7-11-24-56(49)68-58(62)37-50-61-55(23-14-25-57(61)69-63(50)60)67(41-32-34-46-44-16-6-10-22-52(44)66(3,4)54(46)36-41)40-30-27-38(28-31-40)42-19-13-20-48-47-17-8-12-26-59(47)70-64(42)48/h5-37H,1-4H3
InChIKeyIYYOLWJUDYOSGE-UHFFFAOYSA-N
MW916.16 g/mol
LogP19.27
Rot. Bonds5

About 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

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 (PubChem CID 163666528) has the molecular formula C66H45NO2S and a molecular weight of 916.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163666528
Molecular FormulaC66H45NO2S
Molecular Weight916.16 g/mol
Exact Mass915.32
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4cc4oc5ccccc5c34)cc21
InChIInChI=1S/C66H45NO2S/c1-65(2)51-21-9-5-15-43(51)45-33-29-39(35-53(45)65)60-62-49-18-7-11-24-56(49)68-58(62)37-50-61-55(23-14-25-57(61)69-63(50)60)67(41-32-34-46-44-16-6-10-22-52(44)66(3,4)54(46)36-41)40-30-27-38(28-31-40)42-19-13-20-48-47-17-8-12-26-59(47)70-64(42)48/h5-37H,1-4H3
InChIKeyIYYOLWJUDYOSGE-UHFFFAOYSA-N
XLogP19.27
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.16
LogP ≤ 519.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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,12-bis(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-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 163616833
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-amine
CID 169295967
N-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-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 161357638
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine
CID 146247420
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 161066288
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-12-(4-phenylphenyl)-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 160710510
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-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-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 157360229
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295694
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 165052163
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4cc4oc5ccccc5c34)cc21.
What is the InChIKey of 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?
The InChIKey is IYYOLWJUDYOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO2S/c1-65(2)51-21-9-5-15-43(51)45-33-29-39(35-53(45)65)60-62-49-18-7-11-24-56(49)68-58(62)37-50-61-55(23-14-25-57(61)69-63(50)60)67(41-32-34-46-44-16-6-10-22-52(44)66(3,4)54(46)36-41)40-30-27-38(28-31-40)42-19-13-20-48-47-17-8-12-26-59(47)70-64(42)48/h5-37H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 916.16 g/mol, XLogP of 19.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163666528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).