N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine

C87H64N2O — CID 166589164

IUPACN,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Oc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5c6c4CCCN6CCC5)cc32)cc1
InChIInChI=1S/C87H64N2O/c1-7-27-59(28-8-1)85(60-29-9-2-10-30-60)76-44-22-19-39-68(76)71-50-47-65(55-79(71)85)89(66-48-51-72-69-40-20-23-45-77(69)86(80(72)56-66,61-31-11-3-12-32-61)62-33-13-4-14-34-62)82-58-83(75-43-26-54-88-53-25-42-74(82)84(75)88)90-67-49-52-73-70-41-21-24-46-78(70)87(81(73)57-67,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-24,27-41,44-52,55-58H,25-26,42-43,53-54H2
InChIKeyORTDHHILXAUUPO-UHFFFAOYSA-N
MW1153.48 g/mol
LogP20.74
Rot. Bonds11

About N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine

N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine (PubChem CID 166589164) has the molecular formula C87H64N2O and a molecular weight of 1153.48 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine
PubChem CID166589164
Molecular FormulaC87H64N2O
Molecular Weight1153.48 g/mol
Exact Mass1152.50
IUPAC NameN,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Oc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5c6c4CCCN6CCC5)cc32)cc1
InChIInChI=1S/C87H64N2O/c1-7-27-59(28-8-1)85(60-29-9-2-10-30-60)76-44-22-19-39-68(76)71-50-47-65(55-79(71)85)89(66-48-51-72-69-40-20-23-45-77(69)86(80(72)56-66,61-31-11-3-12-32-61)62-33-13-4-14-34-62)82-58-83(75-43-26-54-88-53-25-42-74(82)84(75)88)90-67-49-52-73-70-41-21-24-46-78(70)87(81(73)57-67,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-24,27-41,44-52,55-58H,25-26,42-43,53-54H2
InChIKeyORTDHHILXAUUPO-UHFFFAOYSA-N
XLogP20.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.48
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine with MolForge

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Related Compounds

6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
CID 166890473
4-[bis(9,9-diphenylfluoren-2-yl)amino]benzoic acid
CID 139978935
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
CID 121423384
N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 155221170
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118298346
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine (CID 166589164) is N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Oc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5c6c4CCCN6CCC5)cc32)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine?
The InChIKey is ORTDHHILXAUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H64N2O/c1-7-27-59(28-8-1)85(60-29-9-2-10-30-60)76-44-22-19-39-68(76)71-50-47-65(55-79(71)85)89(66-48-51-72-69-40-20-23-45-77(69)86(80(72)56-66,61-31-11-3-12-32-61)62-33-13-4-14-34-62)82-58-83(75-43-26-54-88-53-25-42-74(82)84(75)88)90-67-49-52-73-70-41-21-24-46-78(70)87(81(73)57-67,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-24,27-41,44-52,55-58H,25-26,42-43,53-54H2.
What are the key properties of N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine?
N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine has a molecular weight of 1153.48 g/mol, XLogP of 20.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine is sourced from PubChem (CID 166589164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).