N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine

C48H31NS — CID 138493702

IUPACN-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C48H31NS/c1-2-14-32(15-3-1)35-16-10-12-24-46(35)49(34-27-29-44-43-23-11-13-25-47(43)50-48(44)31-34)33-26-28-42-40-21-7-6-19-38(40)36-17-4-5-18-37(36)39-20-8-9-22-41(39)45(42)30-33/h1-31H/b38-36-,39-37-,42-40-,45-41-
InChIKeyKCVRAZDJCQDBTN-HAJLQGBCSA-N
MW653.85 g/mol
LogP14.17
Rot. Bonds4

About N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine

N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine (PubChem CID 138493702) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
PubChem CID138493702
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC NameN-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C48H31NS/c1-2-14-32(15-3-1)35-16-10-12-24-46(35)49(34-27-29-44-43-23-11-13-25-47(43)50-48(44)31-34)33-26-28-42-40-21-7-6-19-38(40)36-17-4-5-18-37(36)39-20-8-9-22-41(39)45(42)30-33/h1-31H/b38-36-,39-37-,42-40-,45-41-
InChIKeyKCVRAZDJCQDBTN-HAJLQGBCSA-N
XLogP14.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
N,N-bis(2-phenylphenyl)-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465274
N,N-bis(2-phenylphenyl)-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-23-amine
CID 130465164
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 167293295
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167235897
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167411449
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The IUPAC name of N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine (CID 138493702) is N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The InChIKey is KCVRAZDJCQDBTN-HAJLQGBCSA-N. The full InChI is InChI=1S/C48H31NS/c1-2-14-32(15-3-1)35-16-10-12-24-46(35)49(34-27-29-44-43-23-11-13-25-47(43)50-48(44)31-34)33-26-28-42-40-21-7-6-19-38(40)36-17-4-5-18-37(36)39-20-8-9-22-41(39)45(42)30-33/h1-31H/b38-36-,39-37-,42-40-,45-41-.
What are the key properties of N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine?
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine has a molecular weight of 653.85 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 138493702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).