N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline

C53H35NO — CID 172539697

IUPACN,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5cc6ccccc6cc54)cc3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-13-36(14-4-1)37-23-28-43(29-24-37)54(42-17-5-2-6-18-42)44-30-25-38(26-31-44)41-27-32-48-46(33-41)45-19-9-10-20-47(45)53(48)49-21-11-12-22-51(49)55-52-35-40-16-8-7-15-39(40)34-50(52)53/h1-35H
InChIKeyWOXZTDDPKAZTPL-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.11
Rot. Bonds5

About N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline

N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline (PubChem CID 172539697) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
PubChem CID172539697
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5cc6ccccc6cc54)cc3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-13-36(14-4-1)37-23-28-43(29-24-37)54(42-17-5-2-6-18-42)44-30-25-38(26-31-44)41-27-32-48-46(33-41)45-19-9-10-20-47(45)53(48)49-21-11-12-22-51(49)55-52-35-40-16-8-7-15-39(40)34-50(52)53/h1-35H
InChIKeyWOXZTDDPKAZTPL-UHFFFAOYSA-N
XLogP14.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
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,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818
N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130462533

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline?
The IUPAC name of N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline (CID 172539697) is N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline.
What is the SMILES notation for N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline?
The canonical SMILES for N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5cc6ccccc6cc54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline?
The InChIKey is WOXZTDDPKAZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-13-36(14-4-1)37-23-28-43(29-24-37)54(42-17-5-2-6-18-42)44-30-25-38(26-31-44)41-27-32-48-46(33-41)45-19-9-10-20-47(45)53(48)49-21-11-12-22-51(49)55-52-35-40-16-8-7-15-39(40)34-50(52)53/h1-35H.
What are the key properties of N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline?
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline has a molecular weight of 701.87 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline is sourced from PubChem (CID 172539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).