N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C70H51N — CID 168750064

IUPACN-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccc(C5=CC(c6ccccc6)=CC(c6ccccc6)C5)cc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C70H51N/c1-69(2)62-30-16-12-29-58(62)60-44-53(35-38-63(60)69)71(68-33-19-15-26-55(68)48-24-10-5-11-25-48)54-36-39-66-61(45-54)59-37-34-49(43-67(59)70(66)64-31-17-13-27-56(64)57-28-14-18-32-65(57)70)52-41-50(46-20-6-3-7-21-46)40-51(42-52)47-22-8-4-9-23-47/h3-41,43-45,51H,42H2,1-2H3
InChIKeyRAGCRGYFXDDQET-UHFFFAOYSA-N
MW906.19 g/mol
LogP18.13
Rot. Bonds7

About N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168750064) has the molecular formula C70H51N and a molecular weight of 906.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID168750064
Molecular FormulaC70H51N
Molecular Weight906.19 g/mol
Exact Mass905.40
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccc(C5=CC(c6ccccc6)=CC(c6ccccc6)C5)cc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C70H51N/c1-69(2)62-30-16-12-29-58(62)60-44-53(35-38-63(60)69)71(68-33-19-15-26-55(68)48-24-10-5-11-25-48)54-36-39-66-61(45-54)59-37-34-49(43-67(59)70(66)64-31-17-13-27-56(64)57-28-14-18-32-65(57)70)52-41-50(46-20-6-3-7-21-46)40-51(42-52)47-22-8-4-9-23-47/h3-41,43-45,51H,42H2,1-2H3
InChIKeyRAGCRGYFXDDQET-UHFFFAOYSA-N
XLogP18.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.19
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168789950
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-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-ylfluoren-2-amine
CID 121391735
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine
CID 130264087
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277
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
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 158671722
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 146414763

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 168750064) is N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccc(C5=CC(c6ccccc6)=CC(c6ccccc6)C5)cc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is RAGCRGYFXDDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N/c1-69(2)62-30-16-12-29-58(62)60-44-53(35-38-63(60)69)71(68-33-19-15-26-55(68)48-24-10-5-11-25-48)54-36-39-66-61(45-54)59-37-34-49(43-67(59)70(66)64-31-17-13-27-56(64)57-28-14-18-32-65(57)70)52-41-50(46-20-6-3-7-21-46)40-51(42-52)47-22-8-4-9-23-47/h3-41,43-45,51H,42H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 906.19 g/mol, XLogP of 18.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168750064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).