2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine

C63H46N2 — CID 167056814

IUPAC2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C63H46N2/c1-43-39-57-61(59(41-43)64(49-23-11-5-12-24-49)51-35-31-47(32-36-51)45-19-7-3-8-20-45)62-58(63(57)55-29-17-15-27-53(55)54-28-16-18-30-56(54)63)40-44(2)42-60(62)65(50-25-13-6-14-26-50)52-37-33-48(34-38-52)46-21-9-4-10-22-46/h3-42H,1-2H3
InChIKeyBOWYEHPEHPDAGO-UHFFFAOYSA-N
MW831.08 g/mol
LogP16.92
Rot. Bonds8

About 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine

2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine (PubChem CID 167056814) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine.

Molecular Properties

Compound Name2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
PubChem CID167056814
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C63H46N2/c1-43-39-57-61(59(41-43)64(49-23-11-5-12-24-49)51-35-31-47(32-36-51)45-19-7-3-8-20-45)62-58(63(57)55-29-17-15-27-53(55)54-28-16-18-30-56(54)63)40-44(2)42-60(62)65(50-25-13-6-14-26-50)52-37-33-48(34-38-52)46-21-9-4-10-22-46/h3-42H,1-2H3
InChIKeyBOWYEHPEHPDAGO-UHFFFAOYSA-N
XLogP16.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline
CID 146543841
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
CID 134451141
CID 134451141
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine?
The IUPAC name of 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine (CID 167056814) is 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine.
What is the SMILES notation for 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine?
The canonical SMILES for 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine is Cc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c1-2.
What is the InChIKey of 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine?
The InChIKey is BOWYEHPEHPDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-43-39-57-61(59(41-43)64(49-23-11-5-12-24-49)51-35-31-47(32-36-51)45-19-7-3-8-20-45)62-58(63(57)55-29-17-15-27-53(55)54-28-16-18-30-56(54)63)40-44(2)42-60(62)65(50-25-13-6-14-26-50)52-37-33-48(34-38-52)46-21-9-4-10-22-46/h3-42H,1-2H3.
What are the key properties of 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine?
2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine has a molecular weight of 831.08 g/mol, XLogP of 16.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine is sourced from PubChem (CID 167056814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).