9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine

C61H47N — CID 137388034

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3c(C)cccc31)c1c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc(C)c1-2
InChIInChI=1S/C61H47N/c1-38-25-32-51-56(35-38)61(53-23-12-10-21-50(53)57-39(2)15-13-24-54(57)61)59-47(33-26-40(3)58(51)59)43-18-14-19-45(36-43)62(44-29-27-42(28-30-44)41-16-7-6-8-17-41)46-31-34-49-48-20-9-11-22-52(48)60(4,5)55(49)37-46/h6-37H,1-5H3
InChIKeyDPDDZEDIVNBBKQ-UHFFFAOYSA-N
MW794.05 g/mol
LogP16.07
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine (PubChem CID 137388034) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
PubChem CID137388034
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3c(C)cccc31)c1c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc(C)c1-2
InChIInChI=1S/C61H47N/c1-38-25-32-51-56(35-38)61(53-23-12-10-21-50(53)57-39(2)15-13-24-54(57)61)59-47(33-26-40(3)58(51)59)43-18-14-19-45(36-43)62(44-29-27-42(28-30-44)41-16-7-6-8-17-41)46-31-34-49-48-20-9-11-22-52(48)60(4,5)55(49)37-46/h6-37H,1-5H3
InChIKeyDPDDZEDIVNBBKQ-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 137388127
3-N-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(3-phenylphenyl)benzene-1,3,5-triamine
CID 177117432
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 142508880
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine (CID 137388034) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3c(C)cccc31)c1c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc(C)c1-2.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine?
The InChIKey is DPDDZEDIVNBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-38-25-32-51-56(35-38)61(53-23-12-10-21-50(53)57-39(2)15-13-24-54(57)61)59-47(33-26-40(3)58(51)59)43-18-14-19-45(36-43)62(44-29-27-42(28-30-44)41-16-7-6-8-17-41)46-31-34-49-48-20-9-11-22-52(48)60(4,5)55(49)37-46/h6-37H,1-5H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine has a molecular weight of 794.05 g/mol, XLogP of 16.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 137388034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).