10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine

C49H41N3O — CID 168782831

IUPAC10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
SMILESCC(C)(C)c1ccc(N2c3ccccc3N(c3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)c3ccccc32)cc1
InChIInChI=1S/C49H41N3O/c1-48(2,3)32-22-24-33(25-23-32)50-40-14-6-8-16-42(40)51(43-17-9-7-15-41(43)50)34-26-28-36-37-29-27-35(31-39(37)49(4,5)38(36)30-34)52-44-18-10-12-20-46(44)53-47-21-13-11-19-45(47)52/h6-31H,1-5H3
InChIKeyKSLUQBSAFGFGLC-UHFFFAOYSA-N
MW687.89 g/mol
LogP14.12
Rot. Bonds3

About 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine

10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine (PubChem CID 168782831) has the molecular formula C49H41N3O and a molecular weight of 687.89 g/mol. Its IUPAC name is 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
PubChem CID168782831
Molecular FormulaC49H41N3O
Molecular Weight687.89 g/mol
Exact Mass687.32
IUPAC Name10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
SMILESCC(C)(C)c1ccc(N2c3ccccc3N(c3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)c3ccccc32)cc1
InChIInChI=1S/C49H41N3O/c1-48(2,3)32-22-24-33(25-23-32)50-40-14-6-8-16-42(40)51(43-17-9-7-15-41(43)50)34-26-28-36-37-29-27-35(31-39(37)49(4,5)38(36)30-34)52-44-18-10-12-20-46(44)53-47-21-13-11-19-45(47)52/h6-31H,1-5H3
InChIKeyKSLUQBSAFGFGLC-UHFFFAOYSA-N
XLogP14.12
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
CID 146495452
CID 146495452
10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
11,18-ditert-butyl-N,N,8-tris(4-tert-butylphenyl)-14-(9,9-dimethylfluoren-2-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine
CID 171764744
10-[4-[2,8-ditert-butyl-6-(4-phenoxazin-10-ylphenyl)dibenzothiophen-4-yl]phenyl]phenoxazine
CID 139312039
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210

Frequently Asked Questions

What is the IUPAC name of 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The IUPAC name of 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine (CID 168782831) is 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine.
What is the SMILES notation for 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The canonical SMILES for 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine is CC(C)(C)c1ccc(N2c3ccccc3N(c3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)c3ccccc32)cc1.
What is the InChIKey of 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The InChIKey is KSLUQBSAFGFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3O/c1-48(2,3)32-22-24-33(25-23-32)50-40-14-6-8-16-42(40)51(43-17-9-7-15-41(43)50)34-26-28-36-37-29-27-35(31-39(37)49(4,5)38(36)30-34)52-44-18-10-12-20-46(44)53-47-21-13-11-19-45(47)52/h6-31H,1-5H3.
What are the key properties of 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine?
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine has a molecular weight of 687.89 g/mol, XLogP of 14.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine is sourced from PubChem (CID 168782831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).