2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine

C61H42N2 — CID 153313702

IUPAC2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H42N2/c1-5-23-43(24-6-1)48-31-16-21-39-57(48)62(45-27-9-3-10-28-45)47-41-56-60(52-35-15-20-38-55(52)61(56)53-36-18-13-33-50(53)51-34-14-19-37-54(51)61)59(42-47)63(46-29-11-4-12-30-46)58-40-22-17-32-49(58)44-25-7-2-8-26-44/h1-42H
InChIKeyOHHVJTRIOJYQSP-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.30
Rot. Bonds8

About 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine

2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine (PubChem CID 153313702) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine.

Molecular Properties

Compound Name2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine
PubChem CID153313702
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H42N2/c1-5-23-43(24-6-1)48-31-16-21-39-57(48)62(45-27-9-3-10-28-45)47-41-56-60(52-35-15-20-38-55(52)61(56)53-36-18-13-33-50(53)51-34-14-19-37-54(51)61)59(42-47)63(46-29-11-4-12-30-46)58-40-22-17-32-49(58)44-25-7-2-8-26-44/h1-42H
InChIKeyOHHVJTRIOJYQSP-UHFFFAOYSA-N
XLogP16.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine with MolForge

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Related Compounds

2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
CID 134272876
CID 134272876
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775272
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 170690165

Frequently Asked Questions

What is the IUPAC name of 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine?
The IUPAC name of 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine (CID 153313702) is 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine.
What is the SMILES notation for 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine?
The canonical SMILES for 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine?
The InChIKey is OHHVJTRIOJYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-23-43(24-6-1)48-31-16-21-39-57(48)62(45-27-9-3-10-28-45)47-41-56-60(52-35-15-20-38-55(52)61(56)53-36-18-13-33-50(53)51-34-14-19-37-54(51)61)59(42-47)63(46-29-11-4-12-30-46)58-40-22-17-32-49(58)44-25-7-2-8-26-44/h1-42H.
What are the key properties of 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine?
2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine has a molecular weight of 803.02 g/mol, XLogP of 16.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine is sourced from PubChem (CID 153313702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).