3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine

C39H29NO — CID 123321184

IUPAC3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C2(C)c1ccccc1
InChIInChI=1S/C39H29NO/c1-26-20-22-33-36(24-26)41-37-25-28(27-12-5-3-6-13-27)21-23-34(37)40(33)35-19-11-18-32-38(35)30-16-9-10-17-31(30)39(32,2)29-14-7-4-8-15-29/h3-25H,1-2H3
InChIKeyZKCSFPUFXVMLDR-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.57
Rot. Bonds3

About 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine

3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine (PubChem CID 123321184) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine.

Molecular Properties

Compound Name3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine
PubChem CID123321184
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C2(C)c1ccccc1
InChIInChI=1S/C39H29NO/c1-26-20-22-33-36(24-26)41-37-25-28(27-12-5-3-6-13-27)21-23-34(37)40(33)35-19-11-18-32-38(35)30-16-9-10-17-31(30)39(32,2)29-14-7-4-8-15-29/h3-25H,1-2H3
InChIKeyZKCSFPUFXVMLDR-UHFFFAOYSA-N
XLogP10.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
3,7-diphenyl-10-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenoxazine
CID 121444463
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
11-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(2-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(3-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162167397
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
8-methyl-16-phenyl-27-oxa-12-aza-25-boraheptacyclo[21.3.1.05,26.06,11.012,25.013,18.019,24]heptacosa-1,3,5(26),6(11),7,9,13(18),14,16,19(24),20,22-dodecaene
CID 157358709
9-methyl-9-phenylfluoren-4-ol
CID 139484121
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine?
The IUPAC name of 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine (CID 123321184) is 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine.
What is the SMILES notation for 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine?
The canonical SMILES for 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine is Cc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1cccc2c1-c1ccccc1C2(C)c1ccccc1.
What is the InChIKey of 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine?
The InChIKey is ZKCSFPUFXVMLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-26-20-22-33-36(24-26)41-37-25-28(27-12-5-3-6-13-27)21-23-34(37)40(33)35-19-11-18-32-38(35)30-16-9-10-17-31(30)39(32,2)29-14-7-4-8-15-29/h3-25H,1-2H3.
What are the key properties of 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine?
3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine has a molecular weight of 527.67 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(9-methyl-9-phenylfluoren-4-yl)-7-phenylphenoxazine is sourced from PubChem (CID 123321184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).