3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine

C61H41NO3 — CID 140898460

IUPAC3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)c(N4c5ccc(-c6cc7ccccc7o6)cc5Oc5cc(-c6cc7ccccc7o6)ccc54)c(-c4ccccc4)c3)cccc21
InChIInChI=1S/C61H41NO3/c1-61(2)49-24-12-11-22-46(49)59-45(23-15-25-50(59)61)44-32-47(38-16-5-3-6-17-38)60(48(33-44)39-18-7-4-8-19-39)62-51-30-28-42(55-34-40-20-9-13-26-53(40)63-55)36-57(51)65-58-37-43(29-31-52(58)62)56-35-41-21-10-14-27-54(41)64-56/h3-37H,1-2H3
InChIKeyPKHBINNHILTPHP-UHFFFAOYSA-N
MW836.00 g/mol
LogP17.40
Rot. Bonds6

About 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine

3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine (PubChem CID 140898460) has the molecular formula C61H41NO3 and a molecular weight of 836.00 g/mol. Its IUPAC name is 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine.

Molecular Properties

Compound Name3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine
PubChem CID140898460
Molecular FormulaC61H41NO3
Molecular Weight836.00 g/mol
Exact Mass835.31
IUPAC Name3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)c(N4c5ccc(-c6cc7ccccc7o6)cc5Oc5cc(-c6cc7ccccc7o6)ccc54)c(-c4ccccc4)c3)cccc21
InChIInChI=1S/C61H41NO3/c1-61(2)49-24-12-11-22-46(49)59-45(23-15-25-50(59)61)44-32-47(38-16-5-3-6-17-38)60(48(33-44)39-18-7-4-8-19-39)62-51-30-28-42(55-34-40-20-9-13-26-53(40)63-55)36-57(51)65-58-37-43(29-31-52(58)62)56-35-41-21-10-14-27-54(41)64-56/h3-37H,1-2H3
InChIKeyPKHBINNHILTPHP-UHFFFAOYSA-N
XLogP17.40
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.00
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614437
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
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
CID 126612060
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 122487904
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
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'-[(E)-1-[4-(1-benzofuran-2-yl)phenyl]-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]-1-phenylmethanediamine
CID 174309272
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine?
The IUPAC name of 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine (CID 140898460) is 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine.
What is the SMILES notation for 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine?
The canonical SMILES for 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)c(N4c5ccc(-c6cc7ccccc7o6)cc5Oc5cc(-c6cc7ccccc7o6)ccc54)c(-c4ccccc4)c3)cccc21.
What is the InChIKey of 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine?
The InChIKey is PKHBINNHILTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO3/c1-61(2)49-24-12-11-22-46(49)59-45(23-15-25-50(59)61)44-32-47(38-16-5-3-6-17-38)60(48(33-44)39-18-7-4-8-19-39)62-51-30-28-42(55-34-40-20-9-13-26-53(40)63-55)36-57(51)65-58-37-43(29-31-52(58)62)56-35-41-21-10-14-27-54(41)64-56/h3-37H,1-2H3.
What are the key properties of 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine?
3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine has a molecular weight of 836.00 g/mol, XLogP of 17.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(1-benzofuran-2-yl)-10-[4-(9,9-dimethylfluoren-4-yl)-2,6-diphenylphenyl]phenoxazine is sourced from PubChem (CID 140898460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).