N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine

C43H29NOS — CID 155005102

IUPACN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1c1c2oc2cccc(N(c3ccccc3)c3cccc4c3sc3ccccc34)c21
InChIInChI=1S/C43H29NOS/c1-43(2)32-21-10-8-19-31(32)38-40(43)29-18-7-6-17-28(29)37-39-33(22-13-24-35(39)45-41(37)38)44(26-14-4-3-5-15-26)34-23-12-20-30-27-16-9-11-25-36(27)46-42(30)34/h3-25H,1-2H3
InChIKeyJUVDZVUGFAFEFV-UHFFFAOYSA-N
MW607.78 g/mol
LogP12.88
Rot. Bonds3

About N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine

N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine (PubChem CID 155005102) has the molecular formula C43H29NOS and a molecular weight of 607.78 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine
PubChem CID155005102
Molecular FormulaC43H29NOS
Molecular Weight607.78 g/mol
Exact Mass607.20
IUPAC NameN-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1c1c2oc2cccc(N(c3ccccc3)c3cccc4c3sc3ccccc34)c21
InChIInChI=1S/C43H29NOS/c1-43(2)32-21-10-8-19-31(32)38-40(43)29-18-7-6-17-28(29)37-39-33(22-13-24-35(39)45-41(37)38)44(26-14-4-3-5-15-26)34-23-12-20-30-27-16-9-11-25-36(27)46-42(30)34/h3-25H,1-2H3
InChIKeyJUVDZVUGFAFEFV-UHFFFAOYSA-N
XLogP12.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.78
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-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-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 166503502
6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine
CID 169280609
N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022450
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
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-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
1-[6-(4-bromo-N-dibenzothiophen-4-ylanilino)dibenzothiophen-3-yl]-N-(4-bromophenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-amine
CID 126702886
N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406125
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine?
The IUPAC name of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine (CID 155005102) is N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine is CC1(C)c2ccccc2-c2c1c1ccccc1c1c2oc2cccc(N(c3ccccc3)c3cccc4c3sc3ccccc34)c21.
What is the InChIKey of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine?
The InChIKey is JUVDZVUGFAFEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NOS/c1-43(2)32-21-10-8-19-31(32)38-40(43)29-18-7-6-17-28(29)37-39-33(22-13-24-35(39)45-41(37)38)44(26-14-4-3-5-15-26)34-23-12-20-30-27-16-9-11-25-36(27)46-42(30)34/h3-25H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine?
N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine has a molecular weight of 607.78 g/mol, XLogP of 12.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine is sourced from PubChem (CID 155005102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).