(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine

C27H27N — CID 176798507

IUPAC(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine
SMILESCC1(C)c2ccc(CN)cc2-c2c(ccc3ccc4ccccc4c23)C1(C)C
InChIInChI=1S/C27H27N/c1-26(2)22-13-9-17(16-28)15-21(22)25-23(27(26,3)4)14-12-19-11-10-18-7-5-6-8-20(18)24(19)25/h5-15H,16,28H2,1-4H3
InChIKeyFNWTXDBHMYYJRN-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.69
Rot. Bonds1

About (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine

(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine (PubChem CID 176798507) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine.

Molecular Properties

Compound Name(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine
PubChem CID176798507
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine
SMILESCC1(C)c2ccc(CN)cc2-c2c(ccc3ccc4ccccc4c23)C1(C)C
InChIInChI=1S/C27H27N/c1-26(2)22-13-9-17(16-28)15-21(22)25-23(27(26,3)4)14-12-19-11-10-18-7-5-6-8-20(18)24(19)25/h5-15H,16,28H2,1-4H3
InChIKeyFNWTXDBHMYYJRN-UHFFFAOYSA-N
XLogP6.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine with MolForge

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Related Compounds

5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
16,16-dimethylheptacyclo[15.12.0.02,15.03,12.04,9.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;ethane;propane
CID 91395473
10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
CID 140684072
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
pentacen-2-ylmethanamine
CID 162482734
12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
CID 163949836
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
(3-isoquinolin-4-yl-4-methylphenyl)methanamine
CID 105408814
25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742057
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910

Frequently Asked Questions

What is the IUPAC name of (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine?
The IUPAC name of (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine (CID 176798507) is (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine.
What is the SMILES notation for (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine?
The canonical SMILES for (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine is CC1(C)c2ccc(CN)cc2-c2c(ccc3ccc4ccccc4c23)C1(C)C.
What is the InChIKey of (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine?
The InChIKey is FNWTXDBHMYYJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-26(2)22-13-9-17(16-28)15-21(22)25-23(27(26,3)4)14-12-19-11-10-18-7-5-6-8-20(18)24(19)25/h5-15H,16,28H2,1-4H3.
What are the key properties of (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine?
(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine has a molecular weight of 365.52 g/mol, XLogP of 6.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine is sourced from PubChem (CID 176798507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).