10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one

C102H81BrN4O2 — CID 159200012

IUPAC10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one
SMILESBrc1ccccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.C.C.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.OC1(c2ccccc2N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c2ccccc2N(c2ccccc2)c2ccccc21.[H][2H]
InChIInChI=1S/C50H36N2O.C31H22BrN.C19H13NO.2CH4.H2/c53-50(41-28-12-17-33-46(41)51(38-24-8-3-9-25-38)47-34-18-13-29-42(47)50)43-30-14-19-35-48(43)52-44-31-15-10-26-39(44)49(36-20-4-1-5-21-36,37-22-6-2-7-23-37)40-27-11-16-32-45(40)52;32-27-19-9-12-22-30(27)33-28-20-10-7-17-25(28)31(23-13-3-1-4-14-23,24-15-5-2-6-16-24)26-18-8-11-21-29(26)33;21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;;;/h1-35,53H;1-22H;1-13H;2*1H4;1H/i;;;;;1+1
InChIKeyKPDYSQJOIVYPTE-PUQAOBSFSA-N
MW1475.71 g/mol
LogP26.20
Rot. Bonds9

About 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one

10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one (PubChem CID 159200012) has the molecular formula C102H81BrN4O2 and a molecular weight of 1475.71 g/mol. Its IUPAC name is 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one.

Molecular Properties

Compound Name10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one
PubChem CID159200012
Molecular FormulaC102H81BrN4O2
Molecular Weight1475.71 g/mol
Exact Mass1473.56
IUPAC Name10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one
SMILESBrc1ccccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.C.C.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.OC1(c2ccccc2N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c2ccccc2N(c2ccccc2)c2ccccc21.[H][2H]
InChIInChI=1S/C50H36N2O.C31H22BrN.C19H13NO.2CH4.H2/c53-50(41-28-12-17-33-46(41)51(38-24-8-3-9-25-38)47-34-18-13-29-42(47)50)43-30-14-19-35-48(43)52-44-31-15-10-26-39(44)49(36-20-4-1-5-21-36,37-22-6-2-7-23-37)40-27-11-16-32-45(40)52;32-27-19-9-12-22-30(27)33-28-20-10-7-17-25(28)31(23-13-3-1-4-14-23,24-15-5-2-6-16-24)26-18-8-11-21-29(26)33;21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;;;/h1-35,53H;1-22H;1-13H;2*1H4;1H/i;;;;;1+1
InChIKeyKPDYSQJOIVYPTE-PUQAOBSFSA-N
XLogP26.20
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.71
LogP ≤ 526.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one with MolForge

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Related Compounds

3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
CID 158577516
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163497985
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
CID 163970160
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]aniline;N-(4-phenylphenyl)-N-(4-pyridin-4-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 159826342
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090

Frequently Asked Questions

What is the IUPAC name of 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one?
The IUPAC name of 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one (CID 159200012) is 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one.
What is the SMILES notation for 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one?
The canonical SMILES for 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one is Brc1ccccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.C.C.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.OC1(c2ccccc2N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c2ccccc2N(c2ccccc2)c2ccccc21.[H][2H].
What is the InChIKey of 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one?
The InChIKey is KPDYSQJOIVYPTE-PUQAOBSFSA-N. The full InChI is InChI=1S/C50H36N2O.C31H22BrN.C19H13NO.2CH4.H2/c53-50(41-28-12-17-33-46(41)51(38-24-8-3-9-25-38)47-34-18-13-29-42(47)50)43-30-14-19-35-48(43)52-44-31-15-10-26-39(44)49(36-20-4-1-5-21-36,37-22-6-2-7-23-37)40-27-11-16-32-45(40)52;32-27-19-9-12-22-30(27)33-28-20-10-7-17-25(28)31(23-13-3-1-4-14-23,24-15-5-2-6-16-24)26-18-8-11-21-29(26)33;21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;;;/h1-35,53H;1-22H;1-13H;2*1H4;1H/i;;;;;1+1.
What are the key properties of 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one?
10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one has a molecular weight of 1475.71 g/mol, XLogP of 26.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one is sourced from PubChem (CID 159200012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).