N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine

C51H33NS — CID 171728726

IUPACN-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-c5ccccc5)ccc3cc2-4)c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33NS/c1-32-16-21-40(22-17-32)52(51-42(34-12-6-3-7-13-34)24-25-49-50(51)43-14-8-9-15-48(43)53-49)41-23-20-37-29-45-44-28-36-19-18-35(33-10-4-2-5-11-33)26-38(36)30-46(44)47(45)31-39(37)27-41/h2-31H,1H3
InChIKeyHKWIQVMFQBAXBU-UHFFFAOYSA-N
MW691.90 g/mol
LogP15.12
Rot. Bonds5

About N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine

N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine (PubChem CID 171728726) has the molecular formula C51H33NS and a molecular weight of 691.90 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine
PubChem CID171728726
Molecular FormulaC51H33NS
Molecular Weight691.90 g/mol
Exact Mass691.23
IUPAC NameN-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-c5ccccc5)ccc3cc2-4)c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33NS/c1-32-16-21-40(22-17-32)52(51-42(34-12-6-3-7-13-34)24-25-49-50(51)43-14-8-9-15-48(43)53-49)41-23-20-37-29-45-44-28-36-19-18-35(33-10-4-2-5-11-33)26-38(36)30-46(44)47(45)31-39(37)27-41/h2-31H,1H3
InChIKeyHKWIQVMFQBAXBU-UHFFFAOYSA-N
XLogP15.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.90
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-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-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037433
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-phenylaniline
CID 170038269
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170037227
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine (CID 171728726) is N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine is Cc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-c5ccccc5)ccc3cc2-4)c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine?
The InChIKey is HKWIQVMFQBAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NS/c1-32-16-21-40(22-17-32)52(51-42(34-12-6-3-7-13-34)24-25-49-50(51)43-14-8-9-15-48(43)53-49)41-23-20-37-29-45-44-28-36-19-18-35(33-10-4-2-5-11-33)26-38(36)30-46(44)47(45)31-39(37)27-41/h2-31H,1H3.
What are the key properties of N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine?
N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine has a molecular weight of 691.90 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 171728726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).