2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine

C51H40N2 — CID 70809697

IUPAC2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
SMILESCc1ccc2c(c1)C1(C3=C(CCC(N(c4ccccc4)c4ccccc4)=C3)c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C51H40N2/c1-35-23-27-43-44-28-24-36(2)32-48(44)51(47(43)31-35)49-33-41(52(37-15-7-3-8-16-37)38-17-9-4-10-18-38)25-29-45(49)46-30-26-42(34-50(46)51)53(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-25,27-29,31-34H,26,30H2,1-2H3
InChIKeyRRQPZVXFCHAOFT-UHFFFAOYSA-N
MW680.90 g/mol
LogP13.37
Rot. Bonds6

About 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine

2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine (PubChem CID 70809697) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine.

Molecular Properties

Compound Name2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
PubChem CID70809697
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
SMILESCc1ccc2c(c1)C1(C3=C(CCC(N(c4ccccc4)c4ccccc4)=C3)c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C51H40N2/c1-35-23-27-43-44-28-24-36(2)32-48(44)51(47(43)31-35)49-33-41(52(37-15-7-3-8-16-37)38-17-9-4-10-18-38)25-29-45(49)46-30-26-42(34-50(46)51)53(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-25,27-29,31-34H,26,30H2,1-2H3
InChIKeyRRQPZVXFCHAOFT-UHFFFAOYSA-N
XLogP13.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
CID 139762405
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 70854334
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
7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074355
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
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
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
4-N-(6-methylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]-2'-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 145464393
iodobenzene;2-methyl-9,9'-spirobi[fluorene]-2'-amine;2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 157064836
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The IUPAC name of 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine (CID 70809697) is 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine.
What is the SMILES notation for 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The canonical SMILES for 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine is Cc1ccc2c(c1)C1(C3=C(CCC(N(c4ccccc4)c4ccccc4)=C3)c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The InChIKey is RRQPZVXFCHAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-35-23-27-43-44-28-24-36(2)32-48(44)51(47(43)31-35)49-33-41(52(37-15-7-3-8-16-37)38-17-9-4-10-18-38)25-29-45(49)46-30-26-42(34-50(46)51)53(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-25,27-29,31-34H,26,30H2,1-2H3.
What are the key properties of 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine has a molecular weight of 680.90 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine is sourced from PubChem (CID 70809697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).