CID 155427889

C70H46N2S2 — CID 155427889

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(s3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)sc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C70H46N2S2/c1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48/h1-46H
InChIKeyNNPYHQQDSVWGOS-UHFFFAOYSA-N
MW979.29 g/mol
LogP19.12
Rot. Bonds8

About CID 155427889

CID 155427889 (PubChem CID 155427889) has the molecular formula C70H46N2S2 and a molecular weight of 979.29 g/mol.

Molecular Properties

Compound NameCID 155427889
PubChem CID155427889
Molecular FormulaC70H46N2S2
Molecular Weight979.29 g/mol
Exact Mass978.31
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(s3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)sc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C70H46N2S2/c1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48/h1-46H
InChIKeyNNPYHQQDSVWGOS-UHFFFAOYSA-N
XLogP19.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.29
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155428052
CID 155428052
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-phenyl-N-(4-phenylphenyl)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'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
CID 167056814
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N,N-diphenyl-4-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]-10'-ylaniline
CID 130262865
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209

Frequently Asked Questions

What is the IUPAC name of CID 155427889?
The IUPAC name of CID 155427889 (CID 155427889) is not available.
What is the SMILES notation for CID 155427889?
The canonical SMILES for CID 155427889 is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(s3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)sc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of CID 155427889?
The InChIKey is NNPYHQQDSVWGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2S2/c1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48/h1-46H.
What are the key properties of CID 155427889?
CID 155427889 has a molecular weight of 979.29 g/mol, XLogP of 19.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427889 is sourced from PubChem (CID 155427889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).