2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline

C44H32N2O — CID 138636173

IUPAC2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESCC1C=CC2=C(C1)C(c1ccccc1)(c1cccc(-c3ccc4ccc5ccc(-c6ccccc6)nc5c4n3)c1)c1ccccc1O2
InChIInChI=1S/C44H32N2O/c1-29-19-26-41-37(27-29)44(34-14-6-3-7-15-34,36-17-8-9-18-40(36)47-41)35-16-10-13-33(28-35)39-25-23-32-21-20-31-22-24-38(30-11-4-2-5-12-30)45-42(31)43(32)46-39/h2-26,28-29H,27H2,1H3
InChIKeyUOKIJUFCZDDNFQ-UHFFFAOYSA-N
MW604.75 g/mol
LogP10.69
Rot. Bonds4

About 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline

2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 138636173) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID138636173
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESCC1C=CC2=C(C1)C(c1ccccc1)(c1cccc(-c3ccc4ccc5ccc(-c6ccccc6)nc5c4n3)c1)c1ccccc1O2
InChIInChI=1S/C44H32N2O/c1-29-19-26-41-37(27-29)44(34-14-6-3-7-15-34,36-17-8-9-18-40(36)47-41)35-16-10-13-33(28-35)39-25-23-32-21-20-31-22-24-38(30-11-4-2-5-12-30)45-42(31)43(32)46-39/h2-26,28-29H,27H2,1H3
InChIKeyUOKIJUFCZDDNFQ-UHFFFAOYSA-N
XLogP10.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline
CID 166914461
2-[3-(9,9-diphenylxanthen-4-yl)phenyl]-1,10-phenanthroline
CID 166914697
2-[3-(9,9-dimethylxanthen-3-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 166908479
2-(3-methylcyclohexen-1-yl)-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 146660872
2-[3-[4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 130379025
2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453659
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-2-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 163523886
14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]
CID 164737379

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline (CID 138636173) is 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline is CC1C=CC2=C(C1)C(c1ccccc1)(c1cccc(-c3ccc4ccc5ccc(-c6ccccc6)nc5c4n3)c1)c1ccccc1O2.
What is the InChIKey of 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is UOKIJUFCZDDNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-29-19-26-41-37(27-29)44(34-14-6-3-7-15-34,36-17-8-9-18-40(36)47-41)35-16-10-13-33(28-35)39-25-23-32-21-20-31-22-24-38(30-11-4-2-5-12-30)45-42(31)43(32)46-39/h2-26,28-29H,27H2,1H3.
What are the key properties of 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline?
2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 604.75 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 138636173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).