N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine

C36H23NS — CID 167184430

IUPACN-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C36H23NS/c1-2-12-26(13-3-1)37(32-19-10-18-31-29-16-8-9-20-34(29)38-36(31)32)33-23-25-22-21-24-11-4-5-14-27(24)35(25)30-17-7-6-15-28(30)33/h1-23H
InChIKeyYIHFDAGITMFURF-UHFFFAOYSA-N
MW501.65 g/mol
LogP10.98
Rot. Bonds3

About N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine

N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine (PubChem CID 167184430) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
PubChem CID167184430
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC NameN-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C36H23NS/c1-2-12-26(13-3-1)37(32-19-10-18-31-29-16-8-9-20-34(29)38-36(31)32)33-23-25-22-21-24-11-4-5-14-27(24)35(25)30-17-7-6-15-28(30)33/h1-23H
InChIKeyYIHFDAGITMFURF-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 510.98
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-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 167182762
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-8-amine
CID 166862162
N-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzothiophen-4-amine
CID 167087601
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzothiol-7-amine
CID 167183536
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182873
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-8-amine
CID 166860713
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 167184037
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457
N-(4-chrysen-5-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-4-amine
CID 170140786

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine (CID 167184430) is N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine?
The InChIKey is YIHFDAGITMFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS/c1-2-12-26(13-3-1)37(32-19-10-18-31-29-16-8-9-20-34(29)38-36(31)32)33-23-25-22-21-24-11-4-5-14-27(24)35(25)30-17-7-6-15-28(30)33/h1-23H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine?
N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine has a molecular weight of 501.65 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167184430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).