2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine

C61H60N2 — CID 143938080

IUPAC2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
SMILESCCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-3)cc1CC
InChIInChI=1S/C61H60N2/c1-9-43-23-27-49(35-45(43)11-3)62(47-25-21-39(5)41(7)33-47)51-29-31-55-56-32-30-52(63(48-26-22-40(6)42(8)34-48)50-28-24-44(10-2)46(12-4)36-50)38-60(56)61(59(55)37-51)57-19-15-13-17-53(57)54-18-14-16-20-58(54)61/h13,15-17,19-38H,9-12,14,18H2,1-8H3
InChIKeyAUWZEHMPLYFEOE-UHFFFAOYSA-N
MW821.16 g/mol
LogP16.54
Rot. Bonds10

About 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine

2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine (PubChem CID 143938080) has the molecular formula C61H60N2 and a molecular weight of 821.16 g/mol. Its IUPAC name is 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
PubChem CID143938080
Molecular FormulaC61H60N2
Molecular Weight821.16 g/mol
Exact Mass820.48
IUPAC Name2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
SMILESCCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-3)cc1CC
InChIInChI=1S/C61H60N2/c1-9-43-23-27-49(35-45(43)11-3)62(47-25-21-39(5)41(7)33-47)51-29-31-55-56-32-30-52(63(48-26-22-40(6)42(8)34-48)50-28-24-44(10-2)46(12-4)36-50)38-60(56)61(59(55)37-51)57-19-15-13-17-53(57)54-18-14-16-20-58(54)61/h13,15-17,19-38H,9-12,14,18H2,1-8H3
InChIKeyAUWZEHMPLYFEOE-UHFFFAOYSA-N
XLogP16.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.16
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
7'-[(E)-2-[7-(dinaphthalen-2-ylamino)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl]ethenyl]-N,N-dinaphthalen-2-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 89335584
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine (CID 143938080) is 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine is CCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2cc(N(c4ccc(C)c(C)c4)c4ccc(CC)c(CC)c4)ccc2-3)cc1CC.
What is the InChIKey of 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine?
The InChIKey is AUWZEHMPLYFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N2/c1-9-43-23-27-49(35-45(43)11-3)62(47-25-21-39(5)41(7)33-47)51-29-31-55-56-32-30-52(63(48-26-22-40(6)42(8)34-48)50-28-24-44(10-2)46(12-4)36-50)38-60(56)61(59(55)37-51)57-19-15-13-17-53(57)54-18-14-16-20-58(54)61/h13,15-17,19-38H,9-12,14,18H2,1-8H3.
What are the key properties of 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine?
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine has a molecular weight of 821.16 g/mol, XLogP of 16.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 143938080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).