N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

C63H43NO2 — CID 177099120

IUPACN-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6c(c5)OCO6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C63H43NO2/c1-5-17-45(18-6-1)62(46-19-7-2-8-20-46)57-28-16-14-26-53(57)55-40-50(35-37-58(55)62)64(49-32-29-43(30-33-49)44-31-38-60-61(39-44)66-42-65-60)51-34-36-54-52-25-13-15-27-56(52)63(59(54)41-51,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H,42H2
InChIKeyNUGLBCGFGAINHF-UHFFFAOYSA-N
MW846.04 g/mol
LogP15.28
Rot. Bonds8

About N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 177099120) has the molecular formula C63H43NO2 and a molecular weight of 846.04 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
PubChem CID177099120
Molecular FormulaC63H43NO2
Molecular Weight846.04 g/mol
Exact Mass845.33
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6c(c5)OCO6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C63H43NO2/c1-5-17-45(18-6-1)62(46-19-7-2-8-20-46)57-28-16-14-26-53(57)55-40-50(35-37-58(55)62)64(49-32-29-43(30-33-49)44-31-38-60-61(39-44)66-42-65-60)51-34-36-54-52-25-13-15-27-56(52)63(59(54)41-51,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H,42H2
InChIKeyNUGLBCGFGAINHF-UHFFFAOYSA-N
XLogP15.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.04
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
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
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812185
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (CID 177099120) is N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6c(c5)OCO6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The InChIKey is NUGLBCGFGAINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO2/c1-5-17-45(18-6-1)62(46-19-7-2-8-20-46)57-28-16-14-26-53(57)55-40-50(35-37-58(55)62)64(49-32-29-43(30-33-49)44-31-38-60-61(39-44)66-42-65-60)51-34-36-54-52-25-13-15-27-56(52)63(59(54)41-51,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H,42H2.
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine has a molecular weight of 846.04 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 177099120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).