N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine

C50H33N3 — CID 163517919

IUPACN,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-n4c(-c5ccccc5)nc5cccc3c54)cc2)cc1
InChIInChI=1S/C50H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)52(37-20-8-3-9-21-37)46-29-15-25-42-47(46)39-22-10-11-23-40(39)50(42)41-24-12-13-28-45(41)53-48-43(50)26-14-27-44(48)51-49(53)36-18-6-2-7-19-36/h1-33H
InChIKeyDIIPZXZSXCBCGK-UHFFFAOYSA-N
MW675.84 g/mol
LogP12.51
Rot. Bonds5

About N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine

N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine (PubChem CID 163517919) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine
PubChem CID163517919
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC NameN,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-n4c(-c5ccccc5)nc5cccc3c54)cc2)cc1
InChIInChI=1S/C50H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)52(37-20-8-3-9-21-37)46-29-15-25-42-47(46)39-22-10-11-23-40(39)50(42)41-24-12-13-28-45(41)53-48-43(50)26-14-27-44(48)51-49(53)36-18-6-2-7-19-36/h1-33H
InChIKeyDIIPZXZSXCBCGK-UHFFFAOYSA-N
XLogP12.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine with MolForge

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Related Compounds

15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262820
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484135
15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262614
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168194
CID 118153763
CID 118153763
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
(13R)-N-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 155296951
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166289
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167176590

Frequently Asked Questions

What is the IUPAC name of N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine?
The IUPAC name of N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine (CID 163517919) is N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine.
What is the SMILES notation for N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine?
The canonical SMILES for N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-n4c(-c5ccccc5)nc5cccc3c54)cc2)cc1.
What is the InChIKey of N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine?
The InChIKey is DIIPZXZSXCBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)52(37-20-8-3-9-21-37)46-29-15-25-42-47(46)39-22-10-11-23-40(39)50(42)41-24-12-13-28-45(41)53-48-43(50)26-14-27-44(48)51-49(53)36-18-6-2-7-19-36/h1-33H.
What are the key properties of N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine?
N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine has a molecular weight of 675.84 g/mol, XLogP of 12.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine is sourced from PubChem (CID 163517919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).