N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline

C61H39NO2 — CID 138582355

IUPACN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H39NO2/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)43-22-16-25-45(39-43)62(44-23-5-2-6-24-44)55-34-14-10-28-48(55)49-30-17-35-56-59(49)63-57-37-36-54-58(60(57)64-56)50-29-9-13-33-53(50)61(54)51-31-11-7-26-46(51)47-27-8-12-32-52(47)61/h1-39H
InChIKeyUYXUYDGKCNUKLQ-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.40
Rot. Bonds6

About N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline

N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline (PubChem CID 138582355) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline.

Molecular Properties

Compound NameN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
PubChem CID138582355
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H39NO2/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)43-22-16-25-45(39-43)62(44-23-5-2-6-24-44)55-34-14-10-28-48(55)49-30-17-35-56-59(49)63-57-37-36-54-58(60(57)64-56)50-29-9-13-33-53(50)61(54)51-31-11-7-26-46(51)47-27-8-12-32-52(47)61/h1-39H
InChIKeyUYXUYDGKCNUKLQ-UHFFFAOYSA-N
XLogP16.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581592
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477575
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
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
CID 129309035
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline?
The IUPAC name of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline (CID 138582355) is N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline.
What is the SMILES notation for N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline?
The canonical SMILES for N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline is c1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4-c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline?
The InChIKey is UYXUYDGKCNUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)43-22-16-25-45(39-43)62(44-23-5-2-6-24-44)55-34-14-10-28-48(55)49-30-17-35-56-59(49)63-57-37-36-54-58(60(57)64-56)50-29-9-13-33-53(50)61(54)51-31-11-7-26-46(51)47-27-8-12-32-52(47)61/h1-39H.
What are the key properties of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline?
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline has a molecular weight of 817.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline is sourced from PubChem (CID 138582355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).