N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine

C55H35NO2 — CID 138582107

IUPACN-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35NO2/c1-4-16-36(17-5-1)38-28-31-49(44(34-38)37-18-6-2-7-19-37)56(39-20-8-3-9-21-39)40-29-32-50-52(35-40)57-51-33-30-48-53(54(51)58-50)43-24-12-15-27-47(43)55(48)45-25-13-10-22-41(45)42-23-11-14-26-46(42)55/h1-35H
InChIKeySOEWJAZJJNWRDA-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.73
Rot. Bonds5

About N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine

N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine (PubChem CID 138582107) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
PubChem CID138582107
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35NO2/c1-4-16-36(17-5-1)38-28-31-49(44(34-38)37-18-6-2-7-19-37)56(39-20-8-3-9-21-39)40-29-32-50-52(35-40)57-51-33-30-48-53(54(51)58-50)43-24-12-15-27-47(43)55(48)45-25-13-10-22-41(45)42-23-11-14-26-46(42)55/h1-35H
InChIKeySOEWJAZJJNWRDA-UHFFFAOYSA-N
XLogP14.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
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-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
CID 138582958
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine (CID 138582107) is N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The InChIKey is SOEWJAZJJNWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-4-16-36(17-5-1)38-28-31-49(44(34-38)37-18-6-2-7-19-37)56(39-20-8-3-9-21-39)40-29-32-50-52(35-40)57-51-33-30-48-53(54(51)58-50)43-24-12-15-27-47(43)55(48)45-25-13-10-22-41(45)42-23-11-14-26-46(42)55/h1-35H.
What are the key properties of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine has a molecular weight of 741.89 g/mol, XLogP of 14.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine is sourced from PubChem (CID 138582107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).