2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine

C52H42N2S — CID 155421994

IUPAC2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(C67CC8CC9CC(C6)C87C9)cc5)cc34)cc2)cc1
InChIInChI=1S/C52H42N2S/c1-4-10-36(11-5-1)37-16-20-43(21-17-37)54(42-14-8-3-9-15-42)46-24-26-47-48-30-45(25-27-49(48)55-50(47)31-46)53(41-12-6-2-7-13-41)44-22-18-38(19-23-44)51-33-39-28-35-29-40(34-51)52(39,51)32-35/h1-27,30-31,35,39-40H,28-29,32-34H2
InChIKeyADLVILKGISWQTA-UHFFFAOYSA-N
MW726.99 g/mol
LogP14.74
Rot. Bonds8

About 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine

2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine (PubChem CID 155421994) has the molecular formula C52H42N2S and a molecular weight of 726.99 g/mol. Its IUPAC name is 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine
PubChem CID155421994
Molecular FormulaC52H42N2S
Molecular Weight726.99 g/mol
Exact Mass726.31
IUPAC Name2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(C67CC8CC9CC(C6)C87C9)cc5)cc34)cc2)cc1
InChIInChI=1S/C52H42N2S/c1-4-10-36(11-5-1)37-16-20-43(21-17-37)54(42-14-8-3-9-15-42)46-24-26-47-48-30-45(25-27-49(48)55-50(47)31-46)53(41-12-6-2-7-13-41)44-22-18-38(19-23-44)51-33-39-28-35-29-40(34-51)52(39,51)32-35/h1-27,30-31,35,39-40H,28-29,32-34H2
InChIKeyADLVILKGISWQTA-UHFFFAOYSA-N
XLogP14.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.99
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine 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

2-N-[4-(1-adamantyl)phenyl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 164768059
N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 155421602
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine?
The IUPAC name of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine (CID 155421994) is 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine?
The canonical SMILES for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(C67CC8CC9CC(C6)C87C9)cc5)cc34)cc2)cc1.
What is the InChIKey of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine?
The InChIKey is ADLVILKGISWQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2S/c1-4-10-36(11-5-1)37-16-20-43(21-17-37)54(42-14-8-3-9-15-42)46-24-26-47-48-30-45(25-27-49(48)55-50(47)31-46)53(41-12-6-2-7-13-41)44-22-18-38(19-23-44)51-33-39-28-35-29-40(34-51)52(39,51)32-35/h1-27,30-31,35,39-40H,28-29,32-34H2.
What are the key properties of 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine?
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine has a molecular weight of 726.99 g/mol, XLogP of 14.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine is sourced from PubChem (CID 155421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).