N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

C55H35N — CID 137494338

IUPACN-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C55H35N/c1-3-17-36(18-4-1)41-21-13-16-30-52(41)56(39-19-5-2-6-20-39)40-32-31-37-34-48-51(35-38(37)33-40)55(49-28-14-11-24-44(49)45-25-12-15-29-50(45)55)54-47-27-10-8-23-43(47)42-22-7-9-26-46(42)53(48)54/h1-35H
InChIKeyLZTKXXSULGZAOB-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.63
Rot. Bonds4

About N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (PubChem CID 137494338) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
PubChem CID137494338
Molecular FormulaC55H35N
Molecular Weight709.89 g/mol
Exact Mass709.28
IUPAC NameN-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C55H35N/c1-3-17-36(18-4-1)41-21-13-16-30-52(41)56(39-19-5-2-6-20-39)40-32-31-37-34-48-51(35-38(37)33-40)55(49-28-14-11-24-44(49)45-25-12-15-29-50(45)55)54-47-27-10-8-23-43(47)42-22-7-9-26-46(42)53(48)54/h1-35H
InChIKeyLZTKXXSULGZAOB-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine with MolForge

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Related Compounds

N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137493757
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 140961739
N-(3,5-dimethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137494337
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
CID 140962308
6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
CID 145353357
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452
N-(3,5-dimethylphenyl)-N-(2-methylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 140961992
5-N,20-N-bis(2,5-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430958
5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 158003093
5-N',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 137492842
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
CID 137493832

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (CID 137494338) is N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?
The InChIKey is LZTKXXSULGZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-3-17-36(18-4-1)41-21-13-16-30-52(41)56(39-19-5-2-6-20-39)40-32-31-37-34-48-51(35-38(37)33-40)55(49-28-14-11-24-44(49)45-25-12-15-29-50(45)55)54-47-27-10-8-23-43(47)42-22-7-9-26-46(42)53(48)54/h1-35H.
What are the key properties of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine has a molecular weight of 709.89 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is sourced from PubChem (CID 137494338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).