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

C58H41N — CID 177067341

IUPAC2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc32)c1
InChIInChI=1S/C58H41N/c1-38-16-15-19-41(34-38)57(40-17-5-3-6-18-40)51-25-12-9-22-45(51)49-32-29-43(36-55(49)57)59(42-20-7-4-8-21-42)44-30-33-50-47-24-11-14-27-53(47)58(56(50)37-44)52-26-13-10-23-46(52)48-31-28-39(2)35-54(48)58/h3-37H,1-2H3
InChIKeyDQKYACVQTTWAPP-UHFFFAOYSA-N
MW751.97 g/mol
LogP14.48
Rot. Bonds5

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

2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177067341) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID177067341
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC Name2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc32)c1
InChIInChI=1S/C58H41N/c1-38-16-15-19-41(34-38)57(40-17-5-3-6-18-40)51-25-12-9-22-45(51)49-32-29-43(36-55(49)57)59(42-20-7-4-8-21-42)44-30-33-50-47-24-11-14-27-53(47)58(56(50)37-44)52-26-13-10-23-46(52)48-31-28-39(2)35-54(48)58/h3-37H,1-2H3
InChIKeyDQKYACVQTTWAPP-UHFFFAOYSA-N
XLogP14.48
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 ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 177067098
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
N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067043
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
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,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 177067341) is 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc32)c1.
What is the InChIKey of 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is DQKYACVQTTWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-38-16-15-19-41(34-38)57(40-17-5-3-6-18-40)51-25-12-9-22-45(51)49-32-29-43(36-55(49)57)59(42-20-7-4-8-21-42)44-30-33-50-47-24-11-14-27-53(47)58(56(50)37-44)52-26-13-10-23-46(52)48-31-28-39(2)35-54(48)58/h3-37H,1-2H3.
What are the key properties of 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 751.97 g/mol, XLogP of 14.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177067341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).