2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine

C39H30N2O — CID 146652293

IUPAC2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3O4)ccc21
InChIInChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-33(31)40(29-13-5-3-6-14-29)35-25-27(21-23-32(35)39)28-22-24-38-36(26-28)41(30-15-7-4-8-16-30)34-19-11-12-20-37(34)42-38/h3-26H,1-2H3
InChIKeyCVMABFJQGIQFMX-UHFFFAOYSA-N
MW542.68 g/mol
LogP11.04
Rot. Bonds3

About 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine

2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine (PubChem CID 146652293) has the molecular formula C39H30N2O and a molecular weight of 542.68 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine.

Molecular Properties

Compound Name2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
PubChem CID146652293
Molecular FormulaC39H30N2O
Molecular Weight542.68 g/mol
Exact Mass542.24
IUPAC Name2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3O4)ccc21
InChIInChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-33(31)40(29-13-5-3-6-14-29)35-25-27(21-23-32(35)39)28-22-24-38-36(26-28)41(30-15-7-4-8-16-30)34-19-11-12-20-37(34)42-38/h3-26H,1-2H3
InChIKeyCVMABFJQGIQFMX-UHFFFAOYSA-N
XLogP11.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
18-[3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)-5-phenylphenyl]phenyl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951184
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809
9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
CID 155791211
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
ethane;10-phenylphenoxazine
CID 123756019
2-(12,12-dimethyl-5-phenylbenzo[b]acridin-2-yl)-12-phenanthren-2-ylbenzo[b]phenoxazine
CID 155791112
14,14-dimethyl-N,N,4-triphenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656245
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine?
The IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine (CID 146652293) is 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine.
What is the SMILES notation for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine?
The canonical SMILES for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3O4)ccc21.
What is the InChIKey of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine?
The InChIKey is CVMABFJQGIQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-33(31)40(29-13-5-3-6-14-29)35-25-27(21-23-32(35)39)28-22-24-38-36(26-28)41(30-15-7-4-8-16-30)34-19-11-12-20-37(34)42-38/h3-26H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine?
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine has a molecular weight of 542.68 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine is sourced from PubChem (CID 146652293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).