9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine

C47H34N2O — CID 155791211

IUPAC9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
SMILESCC1(C)c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3ccc5ccccc5c3O4)cc2N(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C47H34N2O/c1-47(2)39-25-21-33(29-42(39)48(35-15-5-3-6-16-35)40-26-22-31-13-9-11-19-37(31)45(40)47)34-24-28-44-43(30-34)49(36-17-7-4-8-18-36)41-27-23-32-14-10-12-20-38(32)46(41)50-44/h3-30H,1-2H3
InChIKeyLACAPZJTDKPRTM-UHFFFAOYSA-N
MW642.80 g/mol
LogP13.34
Rot. Bonds3

About 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine

9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine (PubChem CID 155791211) has the molecular formula C47H34N2O and a molecular weight of 642.80 g/mol. Its IUPAC name is 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine.

Molecular Properties

Compound Name9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
PubChem CID155791211
Molecular FormulaC47H34N2O
Molecular Weight642.80 g/mol
Exact Mass642.27
IUPAC Name9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
SMILESCC1(C)c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3ccc5ccccc5c3O4)cc2N(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C47H34N2O/c1-47(2)39-25-21-33(29-42(39)48(35-15-5-3-6-16-35)40-26-22-31-13-9-11-19-37(31)45(40)47)34-24-28-44-43(30-34)49(36-17-7-4-8-18-36)41-27-23-32-14-10-12-20-38(32)46(41)50-44/h3-30H,1-2H3
InChIKeyLACAPZJTDKPRTM-UHFFFAOYSA-N
XLogP13.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
2-(12,12-dimethyl-5-phenylbenzo[b]acridin-2-yl)-12-phenanthren-2-ylbenzo[b]phenoxazine
CID 155791112
7-(4-phenylphenyl)-10-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]benzo[c]phenoxazine
CID 155791171
7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
CID 155791009
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
7-(9,9-dimethylfluoren-3-yl)-10-(9,9-diphenylfluoren-3-yl)benzo[c]phenoxazine
CID 155791237
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
12,12-dimethyl-9-[7-(7-naphthalen-2-yltriphenylen-2-yl)benzo[c]carbazol-10-yl]-7-(3-phenylphenyl)benzo[a]acridine
CID 155791018
10-bromo-7,9-diphenylbenzo[c]phenoxazine
CID 154697313
10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine
CID 155791050
2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
CID 126612060
13-(2,4,6-trimethylphenyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 59572331

Frequently Asked Questions

What is the IUPAC name of 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine?
The IUPAC name of 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine (CID 155791211) is 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine.
What is the SMILES notation for 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine?
The canonical SMILES for 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine is CC1(C)c2ccc(-c3ccc4c(c3)N(c3ccccc3)c3ccc5ccccc5c3O4)cc2N(c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine?
The InChIKey is LACAPZJTDKPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O/c1-47(2)39-25-21-33(29-42(39)48(35-15-5-3-6-16-35)40-26-22-31-13-9-11-19-37(31)45(40)47)34-24-28-44-43(30-34)49(36-17-7-4-8-18-36)41-27-23-32-14-10-12-20-38(32)46(41)50-44/h3-30H,1-2H3.
What are the key properties of 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine?
9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine has a molecular weight of 642.80 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine is sourced from PubChem (CID 155791211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).