N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

C38H25NS — CID 118122758

IUPACN-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C38H25NS/c1-2-8-26(9-3-1)27-16-19-30(20-17-27)39(32-22-23-35-34-12-6-7-13-37(34)40-38(35)25-32)31-21-18-29-15-14-28-10-4-5-11-33(28)36(29)24-31/h1-25H
InChIKeyLPDUUZBOTXHDHE-UHFFFAOYSA-N
MW527.69 g/mol
LogP11.50
Rot. Bonds4

About N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 118122758) has the molecular formula C38H25NS and a molecular weight of 527.69 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID118122758
Molecular FormulaC38H25NS
Molecular Weight527.69 g/mol
Exact Mass527.17
IUPAC NameN-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C38H25NS/c1-2-8-26(9-3-1)27-16-19-30(20-17-27)39(32-22-23-35-34-12-6-7-13-37(34)40-38(35)25-32)31-21-18-29-15-14-28-10-4-5-11-33(28)36(29)24-31/h1-25H
InChIKeyLPDUUZBOTXHDHE-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809897
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-phenyl-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170778912
2-N,9-N-di(dibenzothiophen-3-yl)-2-N,9-N-diphenylchrysene-2,9-diamine
CID 170410342
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392916
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 118122758) is N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is LPDUUZBOTXHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NS/c1-2-8-26(9-3-1)27-16-19-30(20-17-27)39(32-22-23-35-34-12-6-7-13-37(34)40-38(35)25-32)31-21-18-29-15-14-28-10-4-5-11-33(28)36(29)24-31/h1-25H.
What are the key properties of N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 527.69 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 118122758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).