CID 134551933

C65H40N2 — CID 134551933

IUPAC—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc1
InChIInChI=1S/C65H40N2/c1-3-19-41(20-4-1)44-37-59(43-22-5-2-6-23-43)66-62(38-44)67-60-36-35-42-21-7-8-24-45(42)63(60)50-39-58-49(40-61(50)67)48-27-11-14-30-53(48)65(58)56-33-17-15-31-54(56)64(55-32-16-18-34-57(55)65)51-28-12-9-25-46(51)47-26-10-13-29-52(47)64/h1-40H
InChIKeyZIIHXOAOPIJWFU-UHFFFAOYSA-N
MW849.05 g/mol
LogP15.71
Rot. Bonds3

About CID 134551933

CID 134551933 (PubChem CID 134551933) has the molecular formula C65H40N2 and a molecular weight of 849.05 g/mol.

Molecular Properties

Compound NameCID 134551933
PubChem CID134551933
Molecular FormulaC65H40N2
Molecular Weight849.05 g/mol
Exact Mass848.32
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc1
InChIInChI=1S/C65H40N2/c1-3-19-41(20-4-1)44-37-59(43-22-5-2-6-23-43)66-62(38-44)67-60-36-35-42-21-7-8-24-45(42)63(60)50-39-58-49(40-61(50)67)48-27-11-14-30-53(48)65(58)56-33-17-15-31-54(56)64(55-32-16-18-34-57(55)65)51-28-12-9-25-46(51)47-26-10-13-29-52(47)64/h1-40H
InChIKeyZIIHXOAOPIJWFU-UHFFFAOYSA-N
XLogP15.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.05
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 134551919
CID 134551919
CID 162258827
CID 162258827
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
CID 134551803
CID 134551803
CID 159982041
CID 159982041
3,3-dimethyl-11-(4-naphthalen-2-yl-6-phenyl-2-pyridinyl)-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 121322472
22-(4,6-diphenyl-2-pyridinyl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;prop-1-ene
CID 145105417
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
CID 158568558
CID 158568558
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218
5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936409

Frequently Asked Questions

What is the IUPAC name of CID 134551933?
The IUPAC name of CID 134551933 (CID 134551933) is not available.
What is the SMILES notation for CID 134551933?
The canonical SMILES for CID 134551933 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc1.
What is the InChIKey of CID 134551933?
The InChIKey is ZIIHXOAOPIJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2/c1-3-19-41(20-4-1)44-37-59(43-22-5-2-6-23-43)66-62(38-44)67-60-36-35-42-21-7-8-24-45(42)63(60)50-39-58-49(40-61(50)67)48-27-11-14-30-53(48)65(58)56-33-17-15-31-54(56)64(55-32-16-18-34-57(55)65)51-28-12-9-25-46(51)47-26-10-13-29-52(47)64/h1-40H.
What are the key properties of CID 134551933?
CID 134551933 has a molecular weight of 849.05 g/mol, XLogP of 15.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551933 is sourced from PubChem (CID 134551933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).