2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C52H39N — CID 164784257

IUPAC2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4C)c4ccccc4-c4ccccc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C52H39N/c1-34-22-26-43-44-27-23-35(2)31-48(44)52(47(43)30-34)46-20-12-10-19-42(46)45-28-25-40(33-49(45)52)53(51-21-13-11-18-41(51)38-16-8-5-9-17-38)50-29-24-39(32-36(50)3)37-14-6-4-7-15-37/h4-33H,1-3H3
InChIKeyKXOUWVVPUOBHKX-UHFFFAOYSA-N
MW677.89 g/mol
LogP13.76
Rot. Bonds5

About 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 164784257) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID164784257
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC Name2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4C)c4ccccc4-c4ccccc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C52H39N/c1-34-22-26-43-44-27-23-35(2)31-48(44)52(47(43)30-34)46-20-12-10-19-42(46)45-28-25-40(33-49(45)52)53(51-21-13-11-18-41(51)38-16-8-5-9-17-38)50-29-24-39(32-36(50)3)37-14-6-4-7-15-37/h4-33H,1-3H3
InChIKeyKXOUWVVPUOBHKX-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2-methyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 158108353
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N,N-bis(2-methyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(3,5-diphenylphenyl)-3,5-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 159582933
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-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397
N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162054053
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
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
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 164784257) is 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4C)c4ccccc4-c4ccccc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KXOUWVVPUOBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-34-22-26-43-44-27-23-35(2)31-48(44)52(47(43)30-34)46-20-12-10-19-42(46)45-28-25-40(33-49(45)52)53(51-21-13-11-18-41(51)38-16-8-5-9-17-38)50-29-24-39(32-36(50)3)37-14-6-4-7-15-37/h4-33H,1-3H3.
What are the key properties of 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 677.89 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 164784257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).