7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine

C41H36N2 — CID 139438661

IUPAC7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc2c4c(ccc2c1C3(C)N)-c1ccc(C)cc1C4(C)N
InChIInChI=1S/C41H36N2/c1-21-7-9-23-25-11-14-28-27(35(25)39(3,4)33(23)19-21)13-16-31-32-18-17-29-30(38(32)41(6,43)37(28)31)15-12-26-24-10-8-22(2)20-34(24)40(5,42)36(26)29/h7-20H,42-43H2,1-6H3
InChIKeyWIEADHWLFOCPIN-UHFFFAOYSA-N
MW556.75 g/mol
LogP9.32
Rot. Bonds

About 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine

7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine (PubChem CID 139438661) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine.

Molecular Properties

Compound Name7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine
PubChem CID139438661
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC Name7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc2c4c(ccc2c1C3(C)N)-c1ccc(C)cc1C4(C)N
InChIInChI=1S/C41H36N2/c1-21-7-9-23-25-11-14-28-27(35(25)39(3,4)33(23)19-21)13-16-31-32-18-17-29-30(38(32)41(6,43)37(28)31)15-12-26-24-10-8-22(2)20-34(24)40(5,42)36(26)29/h7-20H,42-43H2,1-6H3
InChIKeyWIEADHWLFOCPIN-UHFFFAOYSA-N
XLogP9.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine with MolForge

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Related Compounds

3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
CID 139438660
3,9,11,11-tetramethylbenzo[a]fluorene
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2,7,9,9-tetramethylfluorene
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CID 144670692
2,6,9,9-tetramethylfluorene
CID 23527438
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
1,2,3-tribromo-7,9,9-trimethylfluorene
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2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848
2,12,12-trimethyl-7H-indeno[1,2-a]fluorene
CID 142054010
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
CID 20593657

Frequently Asked Questions

What is the IUPAC name of 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine?
The IUPAC name of 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine (CID 139438661) is 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine.
What is the SMILES notation for 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine?
The canonical SMILES for 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine is Cc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc2c4c(ccc2c1C3(C)N)-c1ccc(C)cc1C4(C)N.
What is the InChIKey of 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine?
The InChIKey is WIEADHWLFOCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2/c1-21-7-9-23-25-11-14-28-27(35(25)39(3,4)33(23)19-21)13-16-31-32-18-17-29-30(38(32)41(6,43)37(28)31)15-12-26-24-10-8-22(2)20-34(24)40(5,42)36(26)29/h7-20H,42-43H2,1-6H3.
What are the key properties of 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine?
7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine has a molecular weight of 556.75 g/mol, XLogP of 9.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine is sourced from PubChem (CID 139438661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).