3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine

C74H53NO — CID 126614437

IUPAC3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3N4c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C74H53NO/c1-73(2)62-36-30-49-24-14-16-26-56(49)70(62)58-34-28-51(42-64(58)73)53-32-38-66-68(44-53)76-69-45-54(52-29-35-59-65(43-52)74(3,4)63-37-31-50-25-15-17-27-57(50)71(59)63)33-39-67(69)75(66)72-60(47-20-10-6-11-21-47)40-55(46-18-8-5-9-19-46)41-61(72)48-22-12-7-13-23-48/h5-45H,1-4H3
InChIKeyDGUAYTSYSABDOP-UHFFFAOYSA-N
MW972.24 g/mol
LogP20.52
Rot. Bonds6

About 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine

3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine (PubChem CID 126614437) has the molecular formula C74H53NO and a molecular weight of 972.24 g/mol. Its IUPAC name is 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine.

Molecular Properties

Compound Name3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
PubChem CID126614437
Molecular FormulaC74H53NO
Molecular Weight972.24 g/mol
Exact Mass971.41
IUPAC Name3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3N4c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C74H53NO/c1-73(2)62-36-30-49-24-14-16-26-56(49)70(62)58-34-28-51(42-64(58)73)53-32-38-66-68(44-53)76-69-45-54(52-29-35-59-65(43-52)74(3,4)63-37-31-50-25-15-17-27-57(50)71(59)63)33-39-67(69)75(66)72-60(47-20-10-6-11-21-47)40-55(46-18-8-5-9-19-46)41-61(72)48-22-12-7-13-23-48/h5-45H,1-4H3
InChIKeyDGUAYTSYSABDOP-UHFFFAOYSA-N
XLogP20.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.24
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
CID 126612060
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
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
3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine
CID 140898460
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
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-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The IUPAC name of 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine (CID 126614437) is 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine.
What is the SMILES notation for 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The canonical SMILES for 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine is CC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)ccc3N4c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The InChIKey is DGUAYTSYSABDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53NO/c1-73(2)62-36-30-49-24-14-16-26-56(49)70(62)58-34-28-51(42-64(58)73)53-32-38-66-68(44-53)76-69-45-54(52-29-35-59-65(43-52)74(3,4)63-37-31-50-25-15-17-27-57(50)71(59)63)33-39-67(69)75(66)72-60(47-20-10-6-11-21-47)40-55(46-18-8-5-9-19-46)41-61(72)48-22-12-7-13-23-48/h5-45H,1-4H3.
What are the key properties of 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine has a molecular weight of 972.24 g/mol, XLogP of 20.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine is sourced from PubChem (CID 126614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).