CID 134551819

C56H37N — CID 134551819

IUPAC—
SMILESCc1cc(C)cc(-n2c3cc4c(cc3c3ccc5ccccc5c32)-c2ccccc2C42c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-53-33-52-43(32-44(53)42-28-27-36-15-3-4-16-38(36)54(42)57)41-19-7-10-22-47(41)56(52)50-25-13-11-23-48(50)55(49-24-12-14-26-51(49)56)45-20-8-5-17-39(45)40-18-6-9-21-46(40)55/h3-33H,1-2H3
InChIKeyLMPTZJCHVBXILL-UHFFFAOYSA-N
MW723.92 g/mol
LogP13.59
Rot. Bonds1

About CID 134551819

CID 134551819 (PubChem CID 134551819) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol.

Molecular Properties

Compound NameCID 134551819
PubChem CID134551819
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC Name—
SMILESCc1cc(C)cc(-n2c3cc4c(cc3c3ccc5ccccc5c32)-c2ccccc2C42c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-53-33-52-43(32-44(53)42-28-27-36-15-3-4-16-38(36)54(42)57)41-19-7-10-22-47(41)56(52)50-25-13-11-23-48(50)55(49-24-12-14-26-51(49)56)45-20-8-5-17-39(45)40-18-6-9-21-46(40)55/h3-33H,1-2H3
InChIKeyLMPTZJCHVBXILL-UHFFFAOYSA-N
XLogP13.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134551786
CID 134551786
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
CID 134551919
CID 134551919
CID 134551673
CID 134551673
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
CID 134551803
CID 134551803
CID 157397756
CID 157397756
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 159982041
CID 159982041
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399

Frequently Asked Questions

What is the IUPAC name of CID 134551819?
The IUPAC name of CID 134551819 (CID 134551819) is not available.
What is the SMILES notation for CID 134551819?
The canonical SMILES for CID 134551819 is Cc1cc(C)cc(-n2c3cc4c(cc3c3ccc5ccccc5c32)-c2ccccc2C42c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.
What is the InChIKey of CID 134551819?
The InChIKey is LMPTZJCHVBXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-53-33-52-43(32-44(53)42-28-27-36-15-3-4-16-38(36)54(42)57)41-19-7-10-22-47(41)56(52)50-25-13-11-23-48(50)55(49-24-12-14-26-51(49)56)45-20-8-5-17-39(45)40-18-6-9-21-46(40)55/h3-33H,1-2H3.
What are the key properties of CID 134551819?
CID 134551819 has a molecular weight of 723.92 g/mol, XLogP of 13.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551819 is sourced from PubChem (CID 134551819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).