2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C62H46N2 — CID 167334118

IUPAC2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C(C)(C)c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C62H46N2/c1-61(2)56-29-15-16-30-59(56)64(60-41-34-47(42-57(60)61)62(46-22-7-4-8-23-46)54-27-13-11-25-52(54)53-26-12-14-28-55(53)62)50-39-37-49(38-40-50)63(58-31-17-21-45-20-9-10-24-51(45)58)48-35-32-44(33-36-48)43-18-5-3-6-19-43/h3-42H,1-2H3/i9D,10D,17D,20D,21D,24D,31D
InChIKeyFSPUMSGYCVOVJS-QGWYIOHISA-N
MW826.11 g/mol
LogP16.45
Rot. Bonds7

About 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167334118) has the molecular formula C62H46N2 and a molecular weight of 826.11 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167334118
Molecular FormulaC62H46N2
Molecular Weight826.11 g/mol
Exact Mass825.41
IUPAC Name2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C(C)(C)c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C62H46N2/c1-61(2)56-29-15-16-30-59(56)64(60-41-34-47(42-57(60)61)62(46-22-7-4-8-23-46)54-27-13-11-25-52(54)53-26-12-14-28-55(53)62)50-39-37-49(38-40-50)63(58-31-17-21-45-20-9-10-24-51(45)58)48-35-32-44(33-36-48)43-18-5-3-6-19-43/h3-42H,1-2H3/i9D,10D,17D,20D,21D,24D,31D
InChIKeyFSPUMSGYCVOVJS-QGWYIOHISA-N
XLogP16.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.11
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 160984403
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
CID 162115764
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 167334118) is 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is [2H]c1c([2H])c([2H])c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C(C)(C)c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FSPUMSGYCVOVJS-QGWYIOHISA-N. The full InChI is InChI=1S/C62H46N2/c1-61(2)56-29-15-16-30-59(56)64(60-41-34-47(42-57(60)61)62(46-22-7-4-8-23-46)54-27-13-11-25-52(54)53-26-12-14-28-55(53)62)50-39-37-49(38-40-50)63(58-31-17-21-45-20-9-10-24-51(45)58)48-35-32-44(33-36-48)43-18-5-3-6-19-43/h3-42H,1-2H3/i9D,10D,17D,20D,21D,24D,31D.
What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 826.11 g/mol, XLogP of 16.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptadeuterio-N-[4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).