N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine

C55H35NO2 — CID 138582401

IUPACN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3c(ccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)O4)cc2-c2ccccc2)cc1
InChIInChI=1S/C55H35NO2/c1-4-16-36(17-5-1)41-30-28-39(34-46(41)37-18-6-2-7-19-37)56(38-20-8-3-9-21-38)40-29-32-50-52(35-40)58-54-51(57-50)33-31-45-44-24-12-15-27-49(44)55(53(45)54)47-25-13-10-22-42(47)43-23-11-14-26-48(43)55/h1-35H
InChIKeyULIFTBLWIJZFMD-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.73
Rot. Bonds5

About N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine

N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine (PubChem CID 138582401) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
PubChem CID138582401
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3c(ccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)O4)cc2-c2ccccc2)cc1
InChIInChI=1S/C55H35NO2/c1-4-16-36(17-5-1)41-30-28-39(34-46(41)37-18-6-2-7-19-37)56(38-20-8-3-9-21-38)40-29-32-50-52(35-40)58-54-51(57-50)33-31-45-44-24-12-15-27-49(44)55(53(45)54)47-25-13-10-22-42(47)43-23-11-14-26-48(43)55/h1-35H
InChIKeyULIFTBLWIJZFMD-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-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582773
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582731
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N,N-diphenyl-3-[16-[3-(N-phenylanilino)phenyl]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]-19-yl]aniline
CID 138581923

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine (CID 138582401) is N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3c(ccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)O4)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine?
The InChIKey is ULIFTBLWIJZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-4-16-36(17-5-1)41-30-28-39(34-46(41)37-18-6-2-7-19-37)56(38-20-8-3-9-21-38)40-29-32-50-52(35-40)58-54-51(57-50)33-31-45-44-24-12-15-27-49(44)55(53(45)54)47-25-13-10-22-42(47)43-23-11-14-26-48(43)55/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine?
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-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-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine is sourced from PubChem (CID 138582401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).