CID 118153752

C65H43N — CID 118153752

IUPAC—
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3cc21
InChIInChI=1S/C65H43N/c1-63(2)49-25-10-6-23-44(49)46-38-48-47-37-41(40-19-4-3-5-20-40)35-36-59(47)66(61(48)39-58(46)63)60-34-18-33-57-62(60)45-24-9-13-28-52(45)65(57)55-31-16-14-29-53(55)64(54-30-15-17-32-56(54)65)50-26-11-7-21-42(50)43-22-8-12-27-51(43)64/h3-39H,1-2H3
InChIKeyNYHBHTROWADSPC-UHFFFAOYSA-N
MW838.07 g/mol
LogP15.80
Rot. Bonds2

About CID 118153752

CID 118153752 (PubChem CID 118153752) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol.

Molecular Properties

Compound NameCID 118153752
PubChem CID118153752
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3cc21
InChIInChI=1S/C65H43N/c1-63(2)49-25-10-6-23-44(49)46-38-48-47-37-41(40-19-4-3-5-20-40)35-36-59(47)66(61(48)39-58(46)63)60-34-18-33-57-62(60)45-24-9-13-28-52(45)65(57)55-31-16-14-29-53(55)64(54-30-15-17-32-56(54)65)50-26-11-7-21-42(50)43-22-8-12-27-51(43)64/h3-39H,1-2H3
InChIKeyNYHBHTROWADSPC-UHFFFAOYSA-N
XLogP15.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
CID 158608032
CID 158608032
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558

Frequently Asked Questions

What is the IUPAC name of CID 118153752?
The IUPAC name of CID 118153752 (CID 118153752) is not available.
What is the SMILES notation for CID 118153752?
The canonical SMILES for CID 118153752 is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)c3cc21.
What is the InChIKey of CID 118153752?
The InChIKey is NYHBHTROWADSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-63(2)49-25-10-6-23-44(49)46-38-48-47-37-41(40-19-4-3-5-20-40)35-36-59(47)66(61(48)39-58(46)63)60-34-18-33-57-62(60)45-24-9-13-28-52(45)65(57)55-31-16-14-29-53(55)64(54-30-15-17-32-56(54)65)50-26-11-7-21-42(50)43-22-8-12-27-51(43)64/h3-39H,1-2H3.
What are the key properties of CID 118153752?
CID 118153752 has a molecular weight of 838.07 g/mol, XLogP of 15.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118153752 is sourced from PubChem (CID 118153752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).