CID 163977978

C66H42N2S — CID 163977978

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(N4C5(c6ccccc6-c6ccccc65)c5cccc6cccc(c56)C45c4ccccc4-c4ccccc45)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42N2S/c1-2-17-43(18-3-1)44-35-37-46(38-36-44)67(61-33-16-26-54-53-25-8-13-34-62(53)69-64(54)61)47-39-41-48(42-40-47)68-65(55-27-9-4-21-49(55)50-22-5-10-28-56(50)65)59-31-14-19-45-20-15-32-60(63(45)59)66(68)57-29-11-6-23-51(57)52-24-7-12-30-58(52)66/h1-42H
InChIKeySVVNUUIIBQENHB-UHFFFAOYSA-N
MW895.14 g/mol
LogP17.41
Rot. Bonds5

About CID 163977978

CID 163977978 (PubChem CID 163977978) has the molecular formula C66H42N2S and a molecular weight of 895.14 g/mol.

Molecular Properties

Compound NameCID 163977978
PubChem CID163977978
Molecular FormulaC66H42N2S
Molecular Weight895.14 g/mol
Exact Mass894.31
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(N4C5(c6ccccc6-c6ccccc65)c5cccc6cccc(c56)C45c4ccccc4-c4ccccc45)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42N2S/c1-2-17-43(18-3-1)44-35-37-46(38-36-44)67(61-33-16-26-54-53-25-8-13-34-62(53)69-64(54)61)47-39-41-48(42-40-47)68-65(55-27-9-4-21-49(55)50-22-5-10-28-56(50)65)59-31-14-19-45-20-15-32-60(63(45)59)66(68)57-29-11-6-23-51(57)52-24-7-12-30-58(52)66/h1-42H
InChIKeySVVNUUIIBQENHB-UHFFFAOYSA-N
XLogP17.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.14
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
CID 168812209
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059

Frequently Asked Questions

What is the IUPAC name of CID 163977978?
The IUPAC name of CID 163977978 (CID 163977978) is not available.
What is the SMILES notation for CID 163977978?
The canonical SMILES for CID 163977978 is c1ccc(-c2ccc(N(c3ccc(N4C5(c6ccccc6-c6ccccc65)c5cccc6cccc(c56)C45c4ccccc4-c4ccccc45)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of CID 163977978?
The InChIKey is SVVNUUIIBQENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S/c1-2-17-43(18-3-1)44-35-37-46(38-36-44)67(61-33-16-26-54-53-25-8-13-34-62(53)69-64(54)61)47-39-41-48(42-40-47)68-65(55-27-9-4-21-49(55)50-22-5-10-28-56(50)65)59-31-14-19-45-20-15-32-60(63(45)59)66(68)57-29-11-6-23-51(57)52-24-7-12-30-58(52)66/h1-42H.
What are the key properties of CID 163977978?
CID 163977978 has a molecular weight of 895.14 g/mol, XLogP of 17.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163977978 is sourced from PubChem (CID 163977978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).