CID 59844167

C59H48N2 — CID 59844167

IUPAC—
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)C3(CCCCC3)c3cc5c(cc3-4)C3(CCCCC3)c3cc(-c4ccc6ccccc6c4)ccc3-5)c2)cc1
InChIInChI=1S/C59H48N2/c1-4-16-40(17-5-1)57-60-55-21-8-9-22-56(55)61(57)46-20-14-19-42(34-46)44-25-27-47-49-37-54-50(38-53(49)58(51(47)35-44)29-10-2-11-30-58)48-28-26-45(36-52(48)59(54)31-12-3-13-32-59)43-24-23-39-15-6-7-18-41(39)33-43/h1,4-9,14-28,33-38H,2-3,10-13,29-32H2
InChIKeyJUZVGWRMXHRZNW-UHFFFAOYSA-N
MW785.05 g/mol
LogP15.64
Rot. Bonds4

About CID 59844167

CID 59844167 (PubChem CID 59844167) has the molecular formula C59H48N2 and a molecular weight of 785.05 g/mol.

Molecular Properties

Compound NameCID 59844167
PubChem CID59844167
Molecular FormulaC59H48N2
Molecular Weight785.05 g/mol
Exact Mass784.38
IUPAC Name—
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)C3(CCCCC3)c3cc5c(cc3-4)C3(CCCCC3)c3cc(-c4ccc6ccccc6c4)ccc3-5)c2)cc1
InChIInChI=1S/C59H48N2/c1-4-16-40(17-5-1)57-60-55-21-8-9-22-56(55)61(57)46-20-14-19-42(34-46)44-25-27-47-49-37-54-50(38-53(49)58(51(47)35-44)29-10-2-11-30-58)48-28-26-45(36-52(48)59(54)31-12-3-13-32-59)43-24-23-39-15-6-7-18-41(39)33-43/h1,4-9,14-28,33-38H,2-3,10-13,29-32H2
InChIKeyJUZVGWRMXHRZNW-UHFFFAOYSA-N
XLogP15.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.05
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
CID 143828997

Frequently Asked Questions

What is the IUPAC name of CID 59844167?
The IUPAC name of CID 59844167 (CID 59844167) is not available.
What is the SMILES notation for CID 59844167?
The canonical SMILES for CID 59844167 is c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)C3(CCCCC3)c3cc5c(cc3-4)C3(CCCCC3)c3cc(-c4ccc6ccccc6c4)ccc3-5)c2)cc1.
What is the InChIKey of CID 59844167?
The InChIKey is JUZVGWRMXHRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2/c1-4-16-40(17-5-1)57-60-55-21-8-9-22-56(55)61(57)46-20-14-19-42(34-46)44-25-27-47-49-37-54-50(38-53(49)58(51(47)35-44)29-10-2-11-30-58)48-28-26-45(36-52(48)59(54)31-12-3-13-32-59)43-24-23-39-15-6-7-18-41(39)33-43/h1,4-9,14-28,33-38H,2-3,10-13,29-32H2.
What are the key properties of CID 59844167?
CID 59844167 has a molecular weight of 785.05 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59844167 is sourced from PubChem (CID 59844167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).