CID 155428080

C76H54N2O2S2 — CID 155428080

IUPAC—
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12
InChIInChI=1S/C76H54N2O2S2/c1-73(2)51-31-13-17-35-55(51)75(56-36-18-14-32-52(56)73)59-45-67(77(47-25-7-5-8-26-47)61-39-23-43-65-69(61)49-29-11-21-41-63(49)79-65)82-72(59)76(57-37-19-15-33-53(57)74(3,4)54-34-16-20-38-58(54)76)60-46-68(81-71(60)75)78(48-27-9-6-10-28-48)62-40-24-44-66-70(62)50-30-12-22-42-64(50)80-66/h5-46H,1-4H3
InChIKeyPJENFZGJXDMKSX-UHFFFAOYSA-N
MW1091.41 g/mol
LogP20.91
Rot. Bonds6

About CID 155428080

CID 155428080 (PubChem CID 155428080) has the molecular formula C76H54N2O2S2 and a molecular weight of 1091.41 g/mol.

Molecular Properties

Compound NameCID 155428080
PubChem CID155428080
Molecular FormulaC76H54N2O2S2
Molecular Weight1091.41 g/mol
Exact Mass1090.36
IUPAC Name—
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12
InChIInChI=1S/C76H54N2O2S2/c1-73(2)51-31-13-17-35-55(51)75(56-36-18-14-32-52(56)73)59-45-67(77(47-25-7-5-8-26-47)61-39-23-43-65-69(61)49-29-11-21-41-63(49)79-65)82-72(59)76(57-37-19-15-33-53(57)74(3,4)54-34-16-20-38-58(54)76)60-46-68(81-71(60)75)78(48-27-9-6-10-28-48)62-40-24-44-66-70(62)50-30-12-22-42-64(50)80-66/h5-46H,1-4H3
InChIKeyPJENFZGJXDMKSX-UHFFFAOYSA-N
XLogP20.91
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.41
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155655430
CID 155655430
CID 155428075
CID 155428075
CID 155655459
CID 155655459
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine
CID 146247420
N-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-N-phenyldibenzofuran-1-amine
CID 164721623
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811

Frequently Asked Questions

What is the IUPAC name of CID 155428080?
The IUPAC name of CID 155428080 (CID 155428080) is not available.
What is the SMILES notation for CID 155428080?
The canonical SMILES for CID 155428080 is CC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12.
What is the InChIKey of CID 155428080?
The InChIKey is PJENFZGJXDMKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2O2S2/c1-73(2)51-31-13-17-35-55(51)75(56-36-18-14-32-52(56)73)59-45-67(77(47-25-7-5-8-26-47)61-39-23-43-65-69(61)49-29-11-21-41-63(49)79-65)82-72(59)76(57-37-19-15-33-53(57)74(3,4)54-34-16-20-38-58(54)76)60-46-68(81-71(60)75)78(48-27-9-6-10-28-48)62-40-24-44-66-70(62)50-30-12-22-42-64(50)80-66/h5-46H,1-4H3.
What are the key properties of CID 155428080?
CID 155428080 has a molecular weight of 1091.41 g/mol, XLogP of 20.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428080 is sourced from PubChem (CID 155428080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).