2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine

C68H49NO — CID 126612060

IUPAC2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)N(c3c(-c5ccccc5)cccc3-c3ccccc3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3O4)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C68H49NO/c1-67(2)56-34-28-44-20-11-13-22-50(44)64(56)54-32-26-46(38-58(54)67)48-30-36-62-60(40-48)69(66-52(42-16-7-5-8-17-42)24-15-25-53(66)43-18-9-6-10-19-43)61-41-49(31-37-63(61)70-62)47-27-33-55-59(39-47)68(3,4)57-35-29-45-21-12-14-23-51(45)65(55)57/h5-41H,1-4H3
InChIKeyHCKHFWGOMFTPAN-UHFFFAOYSA-N
MW896.15 g/mol
LogP18.85
Rot. Bonds5

About 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine

2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine (PubChem CID 126612060) has the molecular formula C68H49NO and a molecular weight of 896.15 g/mol. Its IUPAC name is 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine.

Molecular Properties

Compound Name2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
PubChem CID126612060
Molecular FormulaC68H49NO
Molecular Weight896.15 g/mol
Exact Mass895.38
IUPAC Name2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)N(c3c(-c5ccccc5)cccc3-c3ccccc3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3O4)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C68H49NO/c1-67(2)56-34-28-44-20-11-13-22-50(44)64(56)54-32-26-46(38-58(54)67)48-30-36-62-60(40-48)69(66-52(42-16-7-5-8-17-42)24-15-25-53(66)43-18-9-6-10-19-43)61-41-49(31-37-63(61)70-62)47-27-33-55-59(39-47)68(3,4)57-35-29-45-21-12-14-23-51(45)65(55)57/h5-41H,1-4H3
InChIKeyHCKHFWGOMFTPAN-UHFFFAOYSA-N
XLogP18.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.15
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614437
10-[2,6-bis(4-phenylphenyl)phenyl]-2,8-bis(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)phenoxazine
CID 126612166
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
2-(2,6-diphenylphenyl)-12,12,20,20-tetramethyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 126612072
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
4-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412748
10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene
CID 122629643

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine?
The IUPAC name of 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine (CID 126612060) is 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine.
What is the SMILES notation for 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine?
The canonical SMILES for 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine is CC1(C)c2cc(-c3ccc4c(c3)N(c3c(-c5ccccc5)cccc3-c3ccccc3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3O4)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine?
The InChIKey is HCKHFWGOMFTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49NO/c1-67(2)56-34-28-44-20-11-13-22-50(44)64(56)54-32-26-46(38-58(54)67)48-30-36-62-60(40-48)69(66-52(42-16-7-5-8-17-42)24-15-25-53(66)43-18-9-6-10-19-43)61-41-49(31-37-63(61)70-62)47-27-33-55-59(39-47)68(3,4)57-35-29-45-21-12-14-23-51(45)65(55)57/h5-41H,1-4H3.
What are the key properties of 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine?
2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine has a molecular weight of 896.15 g/mol, XLogP of 18.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine is sourced from PubChem (CID 126612060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).