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

C52H37N — CID 137494379

IUPACN-(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
SMILESCc1ccc(N(c2cc(C)ccc2C)c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C52H37N/c1-32-25-28-35(29-26-32)53(47-30-33(2)24-27-34(47)3)48-31-46-49(42-20-8-6-18-40(42)48)50-41-19-7-4-14-36(41)37-15-5-9-21-43(37)51(50)52(46)44-22-12-10-16-38(44)39-17-11-13-23-45(39)52/h4-31H,1-3H3
InChIKeyKIZNINIKPWEISX-UHFFFAOYSA-N
MW675.88 g/mol
LogP13.88
Rot. Bonds3

About 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

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 (PubChem CID 137494379) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID137494379
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(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
SMILESCc1ccc(N(c2cc(C)ccc2C)c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C52H37N/c1-32-25-28-35(29-26-32)53(47-30-33(2)24-27-34(47)3)48-31-46-49(42-20-8-6-18-40(42)48)50-41-19-7-4-14-36(41)37-15-5-9-21-43(37)51(50)52(46)44-22-12-10-16-38(44)39-17-11-13-23-45(39)52/h4-31H,1-3H3
InChIKeyKIZNINIKPWEISX-UHFFFAOYSA-N
XLogP13.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,22-N-bis(2,5-dimethylphenyl)-25,25-dimethyl-5-N,22-N-bis(4-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430645
5-N'-[3-[3-(2-methyl-N-[5'-(N-(2-methylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yl]anilino)phenyl]phenyl]-5-N',22-N'-bis(3-methylphenyl)-22-N'-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',22'-diamine
CID 137492846
N-phenyl-N-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'-yldibenzofuran-1-amine
CID 140962533
9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)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'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[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 137492881
9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449691
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-phenyl-N-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'-yldibenzothiophen-4-amine
CID 140962610
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
N-(4-cyclohexylphenyl)-N-phenylspiro[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 137494409
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
5-N,17-N-bis(2,5-dimethylphenyl)-25,25-dimethyl-5-N,17-N-diphenylhexacyclo[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 121431370
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2cc(C)ccc2C)c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is KIZNINIKPWEISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-32-25-28-35(29-26-32)53(47-30-33(2)24-27-34(47)3)48-31-46-49(42-20-8-6-18-40(42)48)50-41-19-7-4-14-36(41)37-15-5-9-21-43(37)51(50)52(46)44-22-12-10-16-38(44)39-17-11-13-23-45(39)52/h4-31H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 675.88 g/mol, XLogP of 13.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).