17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene

C48H40N2 — CID 70919345

IUPAC17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5c(n(-c6ccccc6)c4cc21)CCC=C5)C(C)(C)c1cc2c(cc1-3)c1c(n2-c2ccccc2)CCC=C1
InChIInChI=1S/C48H40N2/c1-47(2)39-25-36-34-24-38-32-20-12-14-22-44(32)50(30-17-9-6-10-18-30)46(38)28-42(34)48(3,4)40(36)26-35(39)33-23-37-31-19-11-13-21-43(31)49(45(37)27-41(33)47)29-15-7-5-8-16-29/h5-12,15-20,23-28H,13-14,21-22H2,1-4H3
InChIKeyYJYPLPBMRKCISK-UHFFFAOYSA-N
MW644.86 g/mol
LogP12.11
Rot. Bonds2

About 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene

17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene (PubChem CID 70919345) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene.

Molecular Properties

Compound Name17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
PubChem CID70919345
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC Name17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5c(n(-c6ccccc6)c4cc21)CCC=C5)C(C)(C)c1cc2c(cc1-3)c1c(n2-c2ccccc2)CCC=C1
InChIInChI=1S/C48H40N2/c1-47(2)39-25-36-34-24-38-32-20-12-14-22-44(32)50(30-17-9-6-10-18-30)46(38)28-42(34)48(3,4)40(36)26-35(39)33-23-37-31-19-11-13-21-43(31)49(45(37)27-41(33)47)29-15-7-5-8-16-29/h5-12,15-20,23-28H,13-14,21-22H2,1-4H3
InChIKeyYJYPLPBMRKCISK-UHFFFAOYSA-N
XLogP12.11
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene?
The IUPAC name of 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene (CID 70919345) is 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene.
What is the SMILES notation for 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene?
The canonical SMILES for 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene is CC1(C)c2cc3c(cc2-c2cc4c5c(n(-c6ccccc6)c4cc21)CCC=C5)C(C)(C)c1cc2c(cc1-3)c1c(n2-c2ccccc2)CCC=C1.
What is the InChIKey of 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene?
The InChIKey is YJYPLPBMRKCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-47(2)39-25-36-34-24-38-32-20-12-14-22-44(32)50(30-17-9-6-10-18-30)46(38)28-42(34)48(3,4)40(36)26-35(39)33-23-37-31-19-11-13-21-43(31)49(45(37)27-41(33)47)29-15-7-5-8-16-29/h5-12,15-20,23-28H,13-14,21-22H2,1-4H3.
What are the key properties of 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene?
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene has a molecular weight of 644.86 g/mol, XLogP of 12.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene is sourced from PubChem (CID 70919345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).