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

C51H35N — CID 137494894

IUPACN-(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
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)cc1C
InChIInChI=1S/C51H35N/c1-32-28-29-35(30-33(32)2)52(34-16-4-3-5-17-34)47-31-44-48-41-23-9-6-18-36(41)37-19-7-10-24-42(37)50(48)51(49(44)43-25-11-8-22-40(43)47)45-26-14-12-20-38(45)39-21-13-15-27-46(39)51/h3-31H,1-2H3
InChIKeyZFNCTFFCYAIDMR-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.58
Rot. Bonds3

About 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

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 (PubChem CID 137494894) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID137494894
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(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
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)cc1C
InChIInChI=1S/C51H35N/c1-32-28-29-35(30-33(32)2)52(34-16-4-3-5-17-34)47-31-44-48-41-23-9-6-18-36(41)37-19-7-10-24-42(37)50(48)51(49(44)43-25-11-8-22-40(43)47)45-26-14-12-20-38(45)39-21-13-15-27-46(39)51/h3-31H,1-2H3
InChIKeyZFNCTFFCYAIDMR-UHFFFAOYSA-N
XLogP13.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 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
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',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
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-(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
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',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
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
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-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
CID 168775186
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-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494379

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)cc1C.
What is the InChIKey of 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?
The InChIKey is ZFNCTFFCYAIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-32-28-29-35(30-33(32)2)52(34-16-4-3-5-17-34)47-31-44-48-41-23-9-6-18-36(41)37-19-7-10-24-42(37)50(48)51(49(44)43-25-11-8-22-40(43)47)45-26-14-12-20-38(45)39-21-13-15-27-46(39)51/h3-31H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 661.85 g/mol, XLogP of 13.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).