CID 174067151

C64H41B5N2 — CID 174067151

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c([B])c1[B]
InChIInChI=1S/C64H41B5N2/c1-63(2)50-24-12-9-22-46(50)49-23-15-27-55(57(49)63)71(41-30-28-38(29-31-41)56-58(65)60(67)62(69)61(68)59(56)66)43-33-35-48-45-21-11-14-26-52(45)64(54(48)37-43)51-25-13-10-20-44(51)47-34-32-42(36-53(47)64)70(39-16-5-3-6-17-39)40-18-7-4-8-19-40/h3-37H,1-2H3
InChIKeyQNYAQJOKRNYVEL-UHFFFAOYSA-N
MW892.11 g/mol
LogP10.91
Rot. Bonds7

About CID 174067151

CID 174067151 (PubChem CID 174067151) has the molecular formula C64H41B5N2 and a molecular weight of 892.11 g/mol.

Molecular Properties

Compound NameCID 174067151
PubChem CID174067151
Molecular FormulaC64H41B5N2
Molecular Weight892.11 g/mol
Exact Mass892.37
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c([B])c1[B]
InChIInChI=1S/C64H41B5N2/c1-63(2)50-24-12-9-22-46(50)49-23-15-27-55(57(49)63)71(41-30-28-38(29-31-41)56-58(65)60(67)62(69)61(68)59(56)66)43-33-35-48-45-21-11-14-26-52(45)64(54(48)37-43)51-25-13-10-20-44(51)47-34-32-42(36-53(47)64)70(39-16-5-3-6-17-39)40-18-7-4-8-19-40/h3-37H,1-2H3
InChIKeyQNYAQJOKRNYVEL-UHFFFAOYSA-N
XLogP10.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404

Frequently Asked Questions

What is the IUPAC name of CID 174067151?
The IUPAC name of CID 174067151 (CID 174067151) is not available.
What is the SMILES notation for CID 174067151?
The canonical SMILES for CID 174067151 is [B]c1c([B])c([B])c(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c([B])c1[B].
What is the InChIKey of CID 174067151?
The InChIKey is QNYAQJOKRNYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41B5N2/c1-63(2)50-24-12-9-22-46(50)49-23-15-27-55(57(49)63)71(41-30-28-38(29-31-41)56-58(65)60(67)62(69)61(68)59(56)66)43-33-35-48-45-21-11-14-26-52(45)64(54(48)37-43)51-25-13-10-20-44(51)47-34-32-42(36-53(47)64)70(39-16-5-3-6-17-39)40-18-7-4-8-19-40/h3-37H,1-2H3.
What are the key properties of CID 174067151?
CID 174067151 has a molecular weight of 892.11 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174067151 is sourced from PubChem (CID 174067151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).