N-phenyl-N-[2-(4-phenylphenyl)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-amine

C55H35NO2 — CID 138582255

IUPACN-phenyl-N-[2-(4-phenylphenyl)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-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-3-16-36(17-4-1)37-30-32-38(33-31-37)40-20-10-14-27-49(40)56(39-18-5-2-6-19-39)50-28-15-29-51-54(50)58-52-34-44-43-23-9-13-26-47(43)55(48(44)35-53(52)57-51)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-35H
InChIKeyBYFONSOMNRJCDW-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.73
Rot. Bonds5

About N-phenyl-N-[2-(4-phenylphenyl)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-amine

N-phenyl-N-[2-(4-phenylphenyl)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-amine (PubChem CID 138582255) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-phenyl-N-[2-(4-phenylphenyl)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-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(4-phenylphenyl)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-amine
PubChem CID138582255
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-phenyl-N-[2-(4-phenylphenyl)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-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-3-16-36(17-4-1)37-30-32-38(33-31-37)40-20-10-14-27-49(40)56(39-18-5-2-6-19-39)50-28-15-29-51-54(50)58-52-34-44-43-23-9-13-26-47(43)55(48(44)35-53(52)57-51)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-35H
InChIKeyBYFONSOMNRJCDW-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

Analyze N-phenyl-N-[2-(4-phenylphenyl)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-amine with MolForge

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Related Compounds

N-phenyl-N-[2-(2-phenylphenyl)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-amine
CID 138582243
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)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]-16-amine
CID 138582582
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
CID 138581502
N-phenyl-N-[3-(2-phenylphenyl)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-10,10'-9H-anthracene]-19-amine
CID 138582612
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[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]-16-amine
CID 163919573
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[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-amine
CID 138582786
1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-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]-2'-ylphenyl)benzene-1,4-diamine
CID 129309142
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-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 157110202
N,N-diphenyl-4-(3-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-ylphenyl)aniline
CID 138582245
N-phenyl-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]-2'-ylphenyl)naphthalen-1-amine
CID 129309024

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(4-phenylphenyl)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-amine?
The IUPAC name of N-phenyl-N-[2-(4-phenylphenyl)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-amine (CID 138582255) is N-phenyl-N-[2-(4-phenylphenyl)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-amine.
What is the SMILES notation for N-phenyl-N-[2-(4-phenylphenyl)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-amine?
The canonical SMILES for N-phenyl-N-[2-(4-phenylphenyl)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-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1.
What is the InChIKey of N-phenyl-N-[2-(4-phenylphenyl)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-amine?
The InChIKey is BYFONSOMNRJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-3-16-36(17-4-1)37-30-32-38(33-31-37)40-20-10-14-27-49(40)56(39-18-5-2-6-19-39)50-28-15-29-51-54(50)58-52-34-44-43-23-9-13-26-47(43)55(48(44)35-53(52)57-51)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-35H.
What are the key properties of N-phenyl-N-[2-(4-phenylphenyl)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-amine?
N-phenyl-N-[2-(4-phenylphenyl)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-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-phenyl-N-[2-(4-phenylphenyl)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-amine is sourced from PubChem (CID 138582255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).