5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one

C43H29NO — CID 146620678

IUPAC5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
SMILESO=C1c2ccccc2C2C=C(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)C=CC2N1c1ccccc1
InChIInChI=1S/C43H29NO/c45-43-39-20-9-8-19-37(39)41-27-31(22-24-42(41)44(43)32-13-2-1-3-14-32)29-12-10-11-28(25-29)30-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-30/h1-27,41-42H
InChIKeyAKLGQAISNTYPOB-UHFFFAOYSA-N
MW575.71 g/mol
LogP10.58
Rot. Bonds3

About 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one

5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one (PubChem CID 146620678) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one.

Molecular Properties

Compound Name5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
PubChem CID146620678
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
SMILESO=C1c2ccccc2C2C=C(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)C=CC2N1c1ccccc1
InChIInChI=1S/C43H29NO/c45-43-39-20-9-8-19-37(39)41-27-31(22-24-42(41)44(43)32-13-2-1-3-14-32)29-12-10-11-28(25-29)30-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-30/h1-27,41-42H
InChIKeyAKLGQAISNTYPOB-UHFFFAOYSA-N
XLogP10.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 174278251
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one?
The IUPAC name of 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one (CID 146620678) is 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one.
What is the SMILES notation for 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one?
The canonical SMILES for 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one is O=C1c2ccccc2C2C=C(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)C=CC2N1c1ccccc1.
What is the InChIKey of 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one?
The InChIKey is AKLGQAISNTYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c45-43-39-20-9-8-19-37(39)41-27-31(22-24-42(41)44(43)32-13-2-1-3-14-32)29-12-10-11-28(25-29)30-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-30/h1-27,41-42H.
What are the key properties of 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one?
5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one has a molecular weight of 575.71 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one is sourced from PubChem (CID 146620678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).