5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine

C61H40N2 — CID 137493642

IUPAC5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccccc3)c3ccccc3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H40N2/c1-5-21-41(22-6-1)62(42-23-7-2-8-24-42)45-37-38-52-53(39-45)46-29-13-15-33-50(46)58-54-40-57(63(43-25-9-3-10-26-43)44-27-11-4-12-28-44)49-32-14-16-34-51(49)59(54)61(60(52)58)55-35-19-17-30-47(55)48-31-18-20-36-56(48)61/h1-40H
InChIKeyFDLMAWAZSPYGLW-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.43
Rot. Bonds6

About 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine

5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine (PubChem CID 137493642) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine.

Molecular Properties

Compound Name5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine
PubChem CID137493642
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccccc3)c3ccccc3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H40N2/c1-5-21-41(22-6-1)62(42-23-7-2-8-24-42)45-37-38-52-53(39-45)46-29-13-15-33-50(46)58-54-40-57(63(43-25-9-3-10-26-43)44-27-11-4-12-28-44)49-32-14-16-34-51(49)59(54)61(60(52)58)55-35-19-17-30-47(55)48-31-18-20-36-56(48)61/h1-40H
InChIKeyFDLMAWAZSPYGLW-UHFFFAOYSA-N
XLogP16.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine with MolForge

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Related Compounds

5-N',17-N'-bis(3,4-dimethylphenyl)-5-N',17-N'-diphenylspiro[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',17'-diamine
CID 140961980
5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)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]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]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',17'-diamine
CID 174249767
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137494894
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137494910
5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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',17'-diamine
CID 137492817
N-phenyl-N-(3-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 140962255
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
5-N',20-N'-bis(4-methylphenyl)-5-N',20-N'-diphenylspiro[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(23),19,21-dodecaene]-5',20'-diamine
CID 137494022
N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137493568
5-N',20-N'-diphenyl-5-N',20-N'-bis(3,4,5-trimethylphenyl)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(23),19,21-dodecaene]-5',20'-diamine
CID 137493831
5-N',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137492876
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879

Frequently Asked Questions

What is the IUPAC name of 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine?
The IUPAC name of 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine (CID 137493642) is 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine.
What is the SMILES notation for 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine?
The canonical SMILES for 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine is c1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccccc3)c3ccccc3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine?
The InChIKey is FDLMAWAZSPYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-21-41(22-6-1)62(42-23-7-2-8-24-42)45-37-38-52-53(39-45)46-29-13-15-33-50(46)58-54-40-57(63(43-25-9-3-10-26-43)44-27-11-4-12-28-44)49-32-14-16-34-51(49)59(54)61(60(52)58)55-35-19-17-30-47(55)48-31-18-20-36-56(48)61/h1-40H.
What are the key properties of 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine?
5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine has a molecular weight of 801.01 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',5-N',17-N',17-N'-tetraphenylspiro[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',17'-diamine is sourced from PubChem (CID 137493642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).