10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine

C59H38N8O — CID 130399498

IUPAC10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9Oc9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1
InChIInChI=1S/C59H38N8O/c1-3-17-41(18-4-1)59(42-19-5-2-6-20-42)45-21-7-9-23-47(45)64(48-24-10-8-22-46(48)59)43-35-31-39(32-36-43)55-60-62-57-58-63-61-56(67(58)50-26-12-11-25-49(50)66(55)57)40-33-37-44(38-34-40)65-51-27-13-15-29-53(51)68-54-30-16-14-28-52(54)65/h1-38H
InChIKeyHETMNCJCPBMIGW-UHFFFAOYSA-N
MW875.01 g/mol
LogP14.00
Rot. Bonds6

About 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine

10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine (PubChem CID 130399498) has the molecular formula C59H38N8O and a molecular weight of 875.01 g/mol. Its IUPAC name is 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
PubChem CID130399498
Molecular FormulaC59H38N8O
Molecular Weight875.01 g/mol
Exact Mass874.32
IUPAC Name10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9Oc9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1
InChIInChI=1S/C59H38N8O/c1-3-17-41(18-4-1)59(42-19-5-2-6-20-42)45-21-7-9-23-47(45)64(48-24-10-8-22-46(48)59)43-35-31-39(32-36-43)55-60-62-57-58-63-61-56(67(58)50-26-12-11-25-49(50)66(55)57)40-33-37-44(38-34-40)65-51-27-13-15-29-53(51)68-54-30-16-14-28-52(54)65/h1-38H
InChIKeyHETMNCJCPBMIGW-UHFFFAOYSA-N
XLogP14.00
TPSA76.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.01
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]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

3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaene
CID 130399490
3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 130399482
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
ethane;10-phenylphenoxazine
CID 123756019
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
CID 157298075
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082

Frequently Asked Questions

What is the IUPAC name of 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine (CID 130399498) is 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine is c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9Oc9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1.
What is the InChIKey of 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The InChIKey is HETMNCJCPBMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N8O/c1-3-17-41(18-4-1)59(42-19-5-2-6-20-42)45-21-7-9-23-47(45)64(48-24-10-8-22-46(48)59)43-35-31-39(32-36-43)55-60-62-57-58-63-61-56(67(58)50-26-12-11-25-49(50)66(55)57)40-33-37-44(38-34-40)65-51-27-13-15-29-53(51)68-54-30-16-14-28-52(54)65/h1-38H.
What are the key properties of 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine has a molecular weight of 875.01 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 130399498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).