10-bromo-7,9-diphenylbenzo[c]phenoxazine

C28H18BrNO — CID 154697313

IUPAC10-bromo-7,9-diphenylbenzo[c]phenoxazine
SMILESBrc1cc2c(cc1-c1ccccc1)N(c1ccccc1)c1ccc3ccccc3c1O2
InChIInChI=1S/C28H18BrNO/c29-24-18-27-26(17-23(24)19-9-3-1-4-10-19)30(21-12-5-2-6-13-21)25-16-15-20-11-7-8-14-22(20)28(25)31-27/h1-18H
InChIKeyGTIJKJUPGNRSJQ-UHFFFAOYSA-N
MW464.36 g/mol
LogP8.84
Rot. Bonds2

About 10-bromo-7,9-diphenylbenzo[c]phenoxazine

10-bromo-7,9-diphenylbenzo[c]phenoxazine (PubChem CID 154697313) has the molecular formula C28H18BrNO and a molecular weight of 464.36 g/mol. Its IUPAC name is 10-bromo-7,9-diphenylbenzo[c]phenoxazine.

Molecular Properties

Compound Name10-bromo-7,9-diphenylbenzo[c]phenoxazine
PubChem CID154697313
Molecular FormulaC28H18BrNO
Molecular Weight464.36 g/mol
Exact Mass463.06
IUPAC Name10-bromo-7,9-diphenylbenzo[c]phenoxazine
SMILESBrc1cc2c(cc1-c1ccccc1)N(c1ccccc1)c1ccc3ccccc3c1O2
InChIInChI=1S/C28H18BrNO/c29-24-18-27-26(17-23(24)19-9-3-1-4-10-19)30(21-12-5-2-6-13-21)25-16-15-20-11-7-8-14-22(20)28(25)31-27/h1-18H
InChIKeyGTIJKJUPGNRSJQ-UHFFFAOYSA-N
XLogP8.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
CID 155791211
10-[9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]carbazol-3-yl]-7-phenylbenzo[c]phenoxazine
CID 155791050
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
7-(9,9-dimethylfluoren-3-yl)-10-(9,9-diphenylfluoren-3-yl)benzo[c]phenoxazine
CID 155791237
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
9-[6-(4-butylphenyl)-9-(3-pyren-1-ylphenyl)carbazol-3-yl]-7-(3-phenylphenyl)benzo[c]phenoxazine
CID 155791202
2,13-diphenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
CID 20767416
10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
12,15-diphenyl-28-oxa-12-aza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.018,27.021,26]nonacosa-2,4,6,8,10,13,15,17(29),18(27),19,21,23,25-tridecaene
CID 170541047
12,18-diphenyl-15-(4-phenylphenyl)-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 170670094
N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
CID 160882826

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7,9-diphenylbenzo[c]phenoxazine?
The IUPAC name of 10-bromo-7,9-diphenylbenzo[c]phenoxazine (CID 154697313) is 10-bromo-7,9-diphenylbenzo[c]phenoxazine.
What is the SMILES notation for 10-bromo-7,9-diphenylbenzo[c]phenoxazine?
The canonical SMILES for 10-bromo-7,9-diphenylbenzo[c]phenoxazine is Brc1cc2c(cc1-c1ccccc1)N(c1ccccc1)c1ccc3ccccc3c1O2.
What is the InChIKey of 10-bromo-7,9-diphenylbenzo[c]phenoxazine?
The InChIKey is GTIJKJUPGNRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrNO/c29-24-18-27-26(17-23(24)19-9-3-1-4-10-19)30(21-12-5-2-6-13-21)25-16-15-20-11-7-8-14-22(20)28(25)31-27/h1-18H.
What are the key properties of 10-bromo-7,9-diphenylbenzo[c]phenoxazine?
10-bromo-7,9-diphenylbenzo[c]phenoxazine has a molecular weight of 464.36 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7,9-diphenylbenzo[c]phenoxazine is sourced from PubChem (CID 154697313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).