2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole

C26H17N — CID 170135047

IUPAC2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole
SMILESc1ccc2cc(-c3cc4c5ccccc5c5ccccc5c4[nH]3)ccc2c1
InChIInChI=1S/C26H17N/c1-2-8-18-15-19(14-13-17(18)7-1)25-16-24-22-11-4-3-9-20(22)21-10-5-6-12-23(21)26(24)27-25/h1-16,27H
InChIKeyYKICEXNUOCFGRS-UHFFFAOYSA-N
MW343.43 g/mol
LogP7.29
Rot. Bonds1

About 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole

2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole (PubChem CID 170135047) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole.

Molecular Properties

Compound Name2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole
PubChem CID170135047
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole
SMILESc1ccc2cc(-c3cc4c5ccccc5c5ccccc5c4[nH]3)ccc2c1
InChIInChI=1S/C26H17N/c1-2-8-18-15-19(14-13-17(18)7-1)25-16-24-22-11-4-3-9-20(22)21-10-5-6-12-23(21)26(24)27-25/h1-16,27H
InChIKeyYKICEXNUOCFGRS-UHFFFAOYSA-N
XLogP7.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 164666039
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
benzo[f]azulene
CID 13065869
2-perylen-3-yl-1H-phenanthro[9,10-b]pyrrole
CID 170135140
2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol
CID 19431267
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
2-naphthalen-2-ylphenanthrene
CID 90738367
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole?
The IUPAC name of 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole (CID 170135047) is 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole.
What is the SMILES notation for 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole?
The canonical SMILES for 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole is c1ccc2cc(-c3cc4c5ccccc5c5ccccc5c4[nH]3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole?
The InChIKey is YKICEXNUOCFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-2-8-18-15-19(14-13-17(18)7-1)25-16-24-22-11-4-3-9-20(22)21-10-5-6-12-23(21)26(24)27-25/h1-16,27H.
What are the key properties of 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole?
2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole has a molecular weight of 343.43 g/mol, XLogP of 7.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1H-phenanthro[9,10-b]pyrrole is sourced from PubChem (CID 170135047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).