4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine

C58H39NS — CID 177287315

IUPAC4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6ccccc6)c6sc7ccccc7c56)c([2H])c4[2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C58H39NS/c1-4-14-40(15-5-1)45-20-12-21-46(38-45)41-26-31-49(32-27-41)59(55-37-36-53(44-18-8-3-9-19-44)58-57(55)54-23-10-11-25-56(54)60-58)50-33-28-42(29-34-50)47-30-35-52-48(39-47)22-13-24-51(52)43-16-6-2-7-17-43/h1-39H/i2D,6D,7D,13D,16D,17D,22D,24D,28D,29D,30D,33D,34D,35D,39D
InChIKeyDENYVILOVBGPPL-JJJLPTLESA-N
MW797.12 g/mol
LogP17.01
Rot. Bonds8

About 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine

4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine (PubChem CID 177287315) has the molecular formula C58H39NS and a molecular weight of 797.12 g/mol. Its IUPAC name is 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine
PubChem CID177287315
Molecular FormulaC58H39NS
Molecular Weight797.12 g/mol
Exact Mass796.37
IUPAC Name4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6ccccc6)c6sc7ccccc7c56)c([2H])c4[2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C58H39NS/c1-4-14-40(15-5-1)45-20-12-21-46(38-45)41-26-31-49(32-27-41)59(55-37-36-53(44-18-8-3-9-19-44)58-57(55)54-23-10-11-25-56(54)60-58)50-33-28-42(29-34-50)47-30-35-52-48(39-47)22-13-24-51(52)43-16-6-2-7-17-43/h1-39H/i2D,6D,7D,13D,16D,17D,22D,24D,28D,29D,30D,33D,34D,35D,39D
InChIKeyDENYVILOVBGPPL-JJJLPTLESA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.12
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[1,3,6,7,8-pentadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine
CID 177287333
4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine
CID 176608227
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-4-amine
CID 177287294
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
1,2,4,6,7,8,9-heptadeuterio-N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 171435148
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452396
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine (CID 177287315) is 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6ccccc6)c6sc7ccccc7c56)c([2H])c4[2H])c([2H])c([2H])c23)c([2H])c1[2H].
What is the InChIKey of 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine?
The InChIKey is DENYVILOVBGPPL-JJJLPTLESA-N. The full InChI is InChI=1S/C58H39NS/c1-4-14-40(15-5-1)45-20-12-21-46(38-45)41-26-31-49(32-27-41)59(55-37-36-53(44-18-8-3-9-19-44)58-57(55)54-23-10-11-25-56(54)60-58)50-33-28-42(29-34-50)47-30-35-52-48(39-47)22-13-24-51(52)43-16-6-2-7-17-43/h1-39H/i2D,6D,7D,13D,16D,17D,22D,24D,28D,29D,30D,33D,34D,35D,39D.
What are the key properties of 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine?
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine has a molecular weight of 797.12 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 177287315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).