10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine

C42H31NO — CID 59196124

IUPAC10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
SMILESCc1ccc2c(N3c4ccccc4Oc4ccccc43)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H31NO/c1-26-23-24-29-32(25-26)39(31-16-12-18-34-40(31)30-15-6-7-17-33(30)42(34,2)3)27-13-4-5-14-28(27)41(29)43-35-19-8-10-21-37(35)44-38-22-11-9-20-36(38)43/h4-25H,1-3H3
InChIKeyRGOYXVVIIQDYLZ-UHFFFAOYSA-N
MW565.72 g/mol
LogP11.85
Rot. Bonds2

About 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine

10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine (PubChem CID 59196124) has the molecular formula C42H31NO and a molecular weight of 565.72 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
PubChem CID59196124
Molecular FormulaC42H31NO
Molecular Weight565.72 g/mol
Exact Mass565.24
IUPAC Name10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
SMILESCc1ccc2c(N3c4ccccc4Oc4ccccc43)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H31NO/c1-26-23-24-29-32(25-26)39(31-16-12-18-34-40(31)30-15-6-7-17-33(30)42(34,2)3)27-13-4-5-14-28(27)41(29)43-35-19-8-10-21-37(35)44-38-22-11-9-20-36(38)43/h4-25H,1-3H3
InChIKeyRGOYXVVIIQDYLZ-UHFFFAOYSA-N
XLogP11.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195621
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
CID 59195940
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
CID 59195127
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333803
11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 91007170
10-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]phenothiazine
CID 89002344
11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine?
The IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine (CID 59196124) is 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine.
What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine?
The canonical SMILES for 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine is Cc1ccc2c(N3c4ccccc4Oc4ccccc43)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine?
The InChIKey is RGOYXVVIIQDYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO/c1-26-23-24-29-32(25-26)39(31-16-12-18-34-40(31)30-15-6-7-17-33(30)42(34,2)3)27-13-4-5-14-28(27)41(29)43-35-19-8-10-21-37(35)44-38-22-11-9-20-36(38)43/h4-25H,1-3H3.
What are the key properties of 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine?
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine has a molecular weight of 565.72 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine is sourced from PubChem (CID 59196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).