N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

C43H29NO2 — CID 138582173

IUPACN,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESC1=C2C(=CCC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cc(N(c3ccccc3)c3ccccc3)ccc2O1
InChIInChI=1S/C43H29NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-38-40(27-30)46-42-39(45-38)26-24-37-41(42)33-19-9-12-22-36(33)43(37)34-20-10-7-17-31(34)32-18-8-11-21-35(32)43/h1-7,9-10,12-27H,8,11H2
InChIKeyJHNWKQMXDRCOAA-UHFFFAOYSA-N
MW591.71 g/mol
LogP11.49
Rot. Bonds3

About N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (PubChem CID 138582173) has the molecular formula C43H29NO2 and a molecular weight of 591.71 g/mol. Its IUPAC name is N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
PubChem CID138582173
Molecular FormulaC43H29NO2
Molecular Weight591.71 g/mol
Exact Mass591.22
IUPAC NameN,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESC1=C2C(=CCC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cc(N(c3ccccc3)c3ccccc3)ccc2O1
InChIInChI=1S/C43H29NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-38-40(27-30)46-42-39(45-38)26-24-37-41(42)33-19-9-12-22-36(33)43(37)34-20-10-7-17-31(34)32-18-8-11-21-35(32)43/h1-7,9-10,12-27H,8,11H2
InChIKeyJHNWKQMXDRCOAA-UHFFFAOYSA-N
XLogP11.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582046
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
CID 138581380
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
CID 138582958
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
CID 138582401

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The IUPAC name of N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (CID 138582173) is N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.
What is the SMILES notation for N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The canonical SMILES for N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is C1=C2C(=CCC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cc(N(c3ccccc3)c3ccccc3)ccc2O1.
What is the InChIKey of N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The InChIKey is JHNWKQMXDRCOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-38-40(27-30)46-42-39(45-38)26-24-37-41(42)33-19-9-12-22-36(33)43(37)34-20-10-7-17-31(34)32-18-8-11-21-35(32)43/h1-7,9-10,12-27H,8,11H2.
What are the key properties of N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine has a molecular weight of 591.71 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is sourced from PubChem (CID 138582173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).