CID 159801748

C89H185N7 — CID 159801748

IUPAC—
SMILESCCc1ccc2c3ccccc3c3ccccc3c2n1.[2H]Cc1ccc2c(c1)c1cnccc1c1ncccc21.[2H]Cc1ccc2c3ccccc3c3ccncc3c2c1.[2H]Cc1ccc2c3ccccc3c3ncccc3c2c1.[2H]Cc1ccc2c3ccncc3c3cnccc3c2c1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H]
InChIInChI=1S/C19H15N.2C18H13N.2C17H12N2.60H2/c1-2-13-11-12-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)19(18)20-13;1-12-8-9-14-13-5-2-3-6-15(13)18-16(17(14)11-12)7-4-10-19-18;1-12-6-7-15-13-4-2-3-5-14(13)16-8-9-19-11-18(16)17(15)10-12;1-11-2-3-12-13-4-6-18-9-16(13)17-10-19-7-5-14(17)15(12)8-11;1-11-4-5-12-13-3-2-7-19-17(13)14-6-8-18-10-16(14)15(12)9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12H,2H2,1H3;2*2-11H,1H3;2*2-10H,1H3;60*1H/i;4*1D;60*1+1D
InChIKeyNJWNLPPHXFMMQK-OQWSLSADSA-N
MW1478.26 g/mol
LogP38.05
Rot. Bonds5

About CID 159801748

CID 159801748 (PubChem CID 159801748) has the molecular formula C89H185N7 and a molecular weight of 1478.26 g/mol.

Molecular Properties

Compound NameCID 159801748
PubChem CID159801748
Molecular FormulaC89H185N7
Molecular Weight1478.26 g/mol
Exact Mass1477.25
IUPAC Name—
SMILESCCc1ccc2c3ccccc3c3ccccc3c2n1.[2H]Cc1ccc2c(c1)c1cnccc1c1ncccc21.[2H]Cc1ccc2c3ccccc3c3ccncc3c2c1.[2H]Cc1ccc2c3ccccc3c3ncccc3c2c1.[2H]Cc1ccc2c3ccncc3c3cnccc3c2c1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H]
InChIInChI=1S/C19H15N.2C18H13N.2C17H12N2.60H2/c1-2-13-11-12-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)19(18)20-13;1-12-8-9-14-13-5-2-3-6-15(13)18-16(17(14)11-12)7-4-10-19-18;1-12-6-7-15-13-4-2-3-5-14(13)16-8-9-19-11-18(16)17(15)10-12;1-11-2-3-12-13-4-6-18-9-16(13)17-10-19-7-5-14(17)15(12)8-11;1-11-4-5-12-13-3-2-7-19-17(13)14-6-8-18-10-16(14)15(12)9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12H,2H2,1H3;2*2-11H,1H3;2*2-10H,1H3;60*1H/i;4*1D;60*1+1D
InChIKeyNJWNLPPHXFMMQK-OQWSLSADSA-N
XLogP38.05
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.26
LogP ≤ 538.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 159892394
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CID 159905884
2-methylpyrrolo[3,4-f][2,7]phenanthroline
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CID 91024041
6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine
CID 161161977
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CID 168875580
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CID 159081200
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CID 102119892
1-methylpyrrolo[2,3-f][3,7]phenanthroline
CID 140949061
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CID 15381524

Frequently Asked Questions

What is the IUPAC name of CID 159801748?
The IUPAC name of CID 159801748 (CID 159801748) is not available.
What is the SMILES notation for CID 159801748?
The canonical SMILES for CID 159801748 is CCc1ccc2c3ccccc3c3ccccc3c2n1.[2H]Cc1ccc2c(c1)c1cnccc1c1ncccc21.[2H]Cc1ccc2c3ccccc3c3ccncc3c2c1.[2H]Cc1ccc2c3ccccc3c3ncccc3c2c1.[2H]Cc1ccc2c3ccncc3c3cnccc3c2c1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].
What is the InChIKey of CID 159801748?
The InChIKey is NJWNLPPHXFMMQK-OQWSLSADSA-N. The full InChI is InChI=1S/C19H15N.2C18H13N.2C17H12N2.60H2/c1-2-13-11-12-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)19(18)20-13;1-12-8-9-14-13-5-2-3-6-15(13)18-16(17(14)11-12)7-4-10-19-18;1-12-6-7-15-13-4-2-3-5-14(13)16-8-9-19-11-18(16)17(15)10-12;1-11-2-3-12-13-4-6-18-9-16(13)17-10-19-7-5-14(17)15(12)8-11;1-11-4-5-12-13-3-2-7-19-17(13)14-6-8-18-10-16(14)15(12)9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12H,2H2,1H3;2*2-11H,1H3;2*2-10H,1H3;60*1H/i;4*1D;60*1+1D.
What are the key properties of CID 159801748?
CID 159801748 has a molecular weight of 1478.26 g/mol, XLogP of 38.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159801748 is sourced from PubChem (CID 159801748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).