N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C58H41N — CID 137448810

IUPACN-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(-c5ccccc5)cccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)50-28-13-9-23-44(50)47-34-32-40(36-53(47)57)59(55-31-16-12-22-42(55)38-18-5-3-6-19-38)41-33-35-48-49-27-17-26-43(39-20-7-4-8-21-39)56(49)58(54(48)37-41)51-29-14-10-24-45(51)46-25-11-15-30-52(46)58/h3-37H,1-2H3
InChIKeyVUODRQQBFVPGEI-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.14
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 137448810) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID137448810
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(-c5ccccc5)cccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)50-28-13-9-23-44(50)47-34-32-40(36-53(47)57)59(55-31-16-12-22-42(55)38-18-5-3-6-19-38)41-33-35-48-49-27-17-26-43(39-20-7-4-8-21-39)56(49)58(54(48)37-41)51-29-14-10-24-45(51)46-25-11-15-30-52(46)58/h3-37H,1-2H3
InChIKeyVUODRQQBFVPGEI-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
CID 130379433
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N,N-bis(2-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664728
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
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
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-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 137448810) is N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(-c5ccccc5)cccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is VUODRQQBFVPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)50-28-13-9-23-44(50)47-34-32-40(36-53(47)57)59(55-31-16-12-22-42(55)38-18-5-3-6-19-38)41-33-35-48-49-27-17-26-43(39-20-7-4-8-21-39)56(49)58(54(48)37-41)51-29-14-10-24-45(51)46-25-11-15-30-52(46)58/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 751.97 g/mol, XLogP of 15.14, 5 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)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 137448810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).