9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine

C69H49N — CID 153471197

IUPAC9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cc5ccccc5c5ccccc45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1/C=C/C(=C\C=C)c1ccccc1
InChIInChI=1S/C69H49N/c1-2-18-50(51-19-6-3-7-20-51)34-31-49-32-41-58(42-33-49)70(60-45-46-65-64-29-16-17-30-67(64)69(68(65)48-60,56-22-8-4-9-23-56)57-24-10-5-11-25-57)59-43-39-53(40-44-59)52-35-37-54(38-36-52)66-47-55-21-12-13-26-61(55)62-27-14-15-28-63(62)66/h2-48H,1H2/b34-31+,50-18+/i32D,33D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D
InChIKeyFXOZOWBAHSLFRC-WJLCSKKSSA-N
MW904.23 g/mol
LogP18.44
Rot. Bonds11

About 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine

9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 153471197) has the molecular formula C69H49N and a molecular weight of 904.23 g/mol. Its IUPAC name is 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
PubChem CID153471197
Molecular FormulaC69H49N
Molecular Weight904.23 g/mol
Exact Mass903.46
IUPAC Name9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cc5ccccc5c5ccccc45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1/C=C/C(=C\C=C)c1ccccc1
InChIInChI=1S/C69H49N/c1-2-18-50(51-19-6-3-7-20-51)34-31-49-32-41-58(42-33-49)70(60-45-46-65-64-29-16-17-30-67(64)69(68(65)48-60,56-22-8-4-9-23-56)57-24-10-5-11-25-57)59-43-39-53(40-44-59)52-35-37-54(38-36-52)66-47-55-21-12-13-26-61(55)62-27-14-15-28-63(62)66/h2-48H,1H2/b34-31+,50-18+/i32D,33D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D
InChIKeyFXOZOWBAHSLFRC-WJLCSKKSSA-N
XLogP18.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.23
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 153471387
9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 153471240
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
9-[(3E)-hexa-1,3,5-trien-3-yl]-N-(4-phenanthren-9-ylphenyl)-9-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 155304857
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452406
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 146631646
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine (CID 153471197) is 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cc5ccccc5c5ccccc45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1/C=C/C(=C\C=C)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is FXOZOWBAHSLFRC-WJLCSKKSSA-N. The full InChI is InChI=1S/C69H49N/c1-2-18-50(51-19-6-3-7-20-51)34-31-49-32-41-58(42-33-49)70(60-45-46-65-64-29-16-17-30-67(64)69(68(65)48-60,56-22-8-4-9-23-56)57-24-10-5-11-25-57)59-43-39-53(40-44-59)52-35-37-54(38-36-52)66-47-55-21-12-13-26-61(55)62-27-14-15-28-63(62)66/h2-48H,1H2/b34-31+,50-18+/i32D,33D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D.
What are the key properties of 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 904.23 g/mol, XLogP of 18.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[(1E,3E)-3-phenylhexa-1,3,5-trienyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 153471197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).