9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine

C115H105N7O3 — CID 157286311

IUPAC9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine
SMILESC1CCC2C(C1)CC1CCC3NC4CCCCC4C3C12.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C36H32N2.C30H20N2O2.C30H22N2O.C19H31N/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)25-21-23-26(24-22-25)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-19-21-26(22-20-25)32-27-15-7-9-17-29(27)33-30-18-10-8-16-28(30)32;1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17/h5-24H,1-4H3;1-20H;1-22H;12-20H,1-11H2
InChIKeyKJNDBKCVIOXYLD-UHFFFAOYSA-N
MW1633.15 g/mol
LogP31.84
Rot. Bonds8

About 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine

9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine (PubChem CID 157286311) has the molecular formula C115H105N7O3 and a molecular weight of 1633.15 g/mol. Its IUPAC name is 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine.

Molecular Properties

Compound Name9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine
PubChem CID157286311
Molecular FormulaC115H105N7O3
Molecular Weight1633.15 g/mol
Exact Mass1631.83
IUPAC Name9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine
SMILESC1CCC2C(C1)CC1CCC3NC4CCCCC4C3C12.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C36H32N2.C30H20N2O2.C30H22N2O.C19H31N/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)25-21-23-26(24-22-25)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-19-21-26(22-20-25)32-27-15-7-9-17-29(27)33-30-18-10-8-16-28(30)32;1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17/h5-24H,1-4H3;1-20H;1-22H;12-20H,1-11H2
InChIKeyKJNDBKCVIOXYLD-UHFFFAOYSA-N
XLogP31.84
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001633.15
LogP ≤ 531.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine with MolForge

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Related Compounds

10-[9-(9,9-Dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine
CID 70821588
10-[9-(9,9-Dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine
CID 70930496
10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine
CID 89071063
10-[2',7,7'-Tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine
CID 89473061
10-[7-[2-[1-[3-(9,9-Dimethylacridin-10-yl)but-1-enyl]-2,3,3-trimethylinden-5-yl]ethenyl]-9,9-dimethyl-6,7-dihydrofluoren-2-yl]-4-[[10-[5-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]naphthalen-1-yl]-9-methyl-1,2-dihydroacridin-9-yl]methyl]phenoxazine
CID 91269394
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine
CID 91374859
3-methyl-N-[4-(4-phenoxazin-10-ylphenyl)phenyl]-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4-amine
CID 137469013
benzene;10-[4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]phenyl]phenoxazine;ethane;2-methyl-N-phenylaniline;10-[4-[(E)-prop-1-enyl]phenyl]phenoxazine
CID 144229013
(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
CID 144898711
N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
CID 144898763
3-Methyl-5'-(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaene-13,8'-7a,12b-dihydroindeno[2,1-c]phenoxazine]
CID 147503953
10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine
CID 155221847

Frequently Asked Questions

What is the IUPAC name of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine?
The IUPAC name of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine (CID 157286311) is 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine.
What is the SMILES notation for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine?
The canonical SMILES for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine is C1CCC2C(C1)CC1CCC3NC4CCCCC4C3C12.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine?
The InChIKey is KJNDBKCVIOXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2.C30H20N2O2.C30H22N2O.C19H31N/c1-35(2)27-13-5-9-17-31(27)37(32-18-10-6-14-28(32)35)25-21-23-26(24-22-25)38-33-19-11-7-15-29(33)36(3,4)30-16-8-12-20-34(30)38;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-19-21-26(22-20-25)32-27-15-7-9-17-29(27)33-30-18-10-8-16-28(30)32;1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17/h5-24H,1-4H3;1-20H;1-22H;12-20H,1-11H2.
What are the key properties of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine?
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine has a molecular weight of 1633.15 g/mol, XLogP of 31.84, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosane;10-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine;4-phenoxazin-10-yl-N,N-diphenylaniline;10-(4-phenoxazin-10-ylphenyl)phenoxazine is sourced from PubChem (CID 157286311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).