[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

C74H48N2O — CID 89495721

IUPAC[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(c1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1-c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C74H48N2O/c77-73(50-38-42-65-64-33-17-20-36-71(64)74(72(65)46-50)69-34-18-15-31-62(69)63-32-16-19-35-70(63)74)49-37-41-59-57-29-13-14-30-58(57)67-47-55(75(51-21-5-1-6-22-51)52-23-7-2-8-24-52)39-43-60(67)61-44-40-56(48-68(61)66(59)45-49)76(53-25-9-3-10-26-53)54-27-11-4-12-28-54/h1-48H/b59-57-,61-60-,67-58-,68-66-
InChIKeyXHUBRSAQMRBMIF-PSVLHWEXSA-N
MW981.21 g/mol
LogP19.18
Rot. Bonds8

About [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 89495721) has the molecular formula C74H48N2O and a molecular weight of 981.21 g/mol. Its IUPAC name is [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

Compound Name[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
PubChem CID89495721
Molecular FormulaC74H48N2O
Molecular Weight981.21 g/mol
Exact Mass980.38
IUPAC Name[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(c1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1-c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C74H48N2O/c77-73(50-38-42-65-64-33-17-20-36-71(64)74(72(65)46-50)69-34-18-15-31-62(69)63-32-16-19-35-70(63)74)49-37-41-59-57-29-13-14-30-58(57)67-47-55(75(51-21-5-1-6-22-51)52-23-7-2-8-24-52)39-43-60(67)61-44-40-56(48-68(61)66(59)45-49)76(53-25-9-3-10-26-53)54-27-11-4-12-28-54/h1-48H/b59-57-,61-60-,67-58-,68-66-
InChIKeyXHUBRSAQMRBMIF-PSVLHWEXSA-N
XLogP19.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.21
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129129835
[2-benzoyl-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]-phenylmethanone
CID 58084722
2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58240106
[7'-(9,9-dimethylfluorene-2-carbonyl)-2-methyl-7-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]-(9,9-dimethylfluoren-2-yl)methanone;toluene
CID 143585216
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
4-[bis(9,9-diphenylfluoren-2-yl)amino]benzoic acid
CID 139978935
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
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
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535

Frequently Asked Questions

What is the IUPAC name of [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 89495721) is [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is O=C(c1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1-c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is XHUBRSAQMRBMIF-PSVLHWEXSA-N. The full InChI is InChI=1S/C74H48N2O/c77-73(50-38-42-65-64-33-17-20-36-71(64)74(72(65)46-50)69-34-18-15-31-62(69)63-32-16-19-35-70(63)74)49-37-41-59-57-29-13-14-30-58(57)67-47-55(75(51-21-5-1-6-22-51)52-23-7-2-8-24-52)39-43-60(67)61-44-40-56(48-68(61)66(59)45-49)76(53-25-9-3-10-26-53)54-27-11-4-12-28-54/h1-48H/b59-57-,61-60-,67-58-,68-66-.
What are the key properties of [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?
[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 981.21 g/mol, XLogP of 19.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 89495721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).