7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine

C53H40N2 — CID 58903523

IUPAC7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
SMILESCN(c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C53H40N2/c1-52(2)49-32-37(26-29-43(49)44-31-28-39(34-50(44)52)55(35-16-6-4-7-17-35)36-18-8-5-9-19-36)54(3)38-27-30-45-42-22-12-15-25-48(42)53(51(45)33-38)46-23-13-10-20-40(46)41-21-11-14-24-47(41)53/h4-34H,1-3H3
InChIKeyVNNSHNYYHDHICB-UHFFFAOYSA-N
MW704.92 g/mol
LogP13.57
Rot. Bonds5

About 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine

7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine (PubChem CID 58903523) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine.

Molecular Properties

Compound Name7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
PubChem CID58903523
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
SMILESCN(c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C53H40N2/c1-52(2)49-32-37(26-29-43(49)44-31-28-39(34-50(44)52)55(35-16-6-4-7-17-35)36-18-8-5-9-19-36)54(3)38-27-30-45-42-22-12-15-25-48(42)53(51(45)33-38)46-23-13-10-20-40(46)41-21-11-14-24-47(41)53/h4-34H,1-3H3
InChIKeyVNNSHNYYHDHICB-UHFFFAOYSA-N
XLogP13.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
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
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611

Frequently Asked Questions

What is the IUPAC name of 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine?
The IUPAC name of 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine (CID 58903523) is 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine.
What is the SMILES notation for 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine?
The canonical SMILES for 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine is CN(c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine?
The InChIKey is VNNSHNYYHDHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2/c1-52(2)49-32-37(26-29-43(49)44-31-28-39(34-50(44)52)55(35-16-6-4-7-17-35)36-18-8-5-9-19-36)54(3)38-27-30-45-42-22-12-15-25-48(42)53(51(45)33-38)46-23-13-10-20-40(46)41-21-11-14-24-47(41)53/h4-34H,1-3H3.
What are the key properties of 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine?
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine has a molecular weight of 704.92 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine is sourced from PubChem (CID 58903523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).