N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C71H47N — CID 153433790

IUPACN-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C71H47N/c1-69(2)58-29-13-6-22-47(58)54-38-36-45(40-65(54)69)72(46-37-39-55-52-27-11-18-34-63(52)70(66(55)41-46)59-30-14-7-23-48(59)49-24-8-15-31-60(49)70)68-43-67-57(42-56(68)44-20-4-3-5-21-44)53-28-12-19-35-64(53)71(67)61-32-16-9-25-50(61)51-26-10-17-33-62(51)71/h3-43H,1-2H3
InChIKeyUFIROIQSLFJNRD-UHFFFAOYSA-N
MW914.16 g/mol
LogP17.82
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 153433790) has the molecular formula C71H47N and a molecular weight of 914.16 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID153433790
Molecular FormulaC71H47N
Molecular Weight914.16 g/mol
Exact Mass913.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C71H47N/c1-69(2)58-29-13-6-22-47(58)54-38-36-45(40-65(54)69)72(46-37-39-55-52-27-11-18-34-63(52)70(66(55)41-46)59-30-14-7-23-48(59)49-24-8-15-31-60(49)70)68-43-67-57(42-56(68)44-20-4-3-5-21-44)53-28-12-19-35-64(53)71(67)61-32-16-9-25-50(61)51-26-10-17-33-62(51)71/h3-43H,1-2H3
InChIKeyUFIROIQSLFJNRD-UHFFFAOYSA-N
XLogP17.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.16
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
CID 178165633
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
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
2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791748
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791686
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2-N-(9,9-diphenylfluoren-3-yl)-2-N,2-N',2-N',3'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791813

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 153433790) is N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is UFIROIQSLFJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N/c1-69(2)58-29-13-6-22-47(58)54-38-36-45(40-65(54)69)72(46-37-39-55-52-27-11-18-34-63(52)70(66(55)41-46)59-30-14-7-23-48(59)49-24-8-15-31-60(49)70)68-43-67-57(42-56(68)44-20-4-3-5-21-44)53-28-12-19-35-64(53)71(67)61-32-16-9-25-50(61)51-26-10-17-33-62(51)71/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 914.16 g/mol, XLogP of 17.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 153433790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).