3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

C59H40N2 — CID 168775239

IUPAC3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccccc2C32c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C59H40N2/c1-5-21-41(22-6-1)46-29-17-20-36-56(46)61(44-27-11-4-12-28-44)57-40-55-58(49-32-14-13-31-48(49)57)50-33-16-19-35-53(50)59(55)52-34-18-15-30-47(52)51-39-45(37-38-54(51)59)60(42-23-7-2-8-24-42)43-25-9-3-10-26-43/h1-40H
InChIKeyZYZQSSVGTVGVNG-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.79
Rot. Bonds7

About 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (PubChem CID 168775239) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.

Molecular Properties

Compound Name3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
PubChem CID168775239
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccccc2C32c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C59H40N2/c1-5-21-41(22-6-1)46-29-17-20-36-56(46)61(44-27-11-4-12-28-44)57-40-55-58(49-32-14-13-31-48(49)57)50-33-16-19-35-53(50)59(55)52-34-18-15-30-47(52)51-39-45(37-38-54(51)59)60(42-23-7-2-8-24-42)43-25-9-3-10-26-43/h1-40H
InChIKeyZYZQSSVGTVGVNG-UHFFFAOYSA-N
XLogP15.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N',5-N,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104
3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775134
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
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
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
N,N-bis(2-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N,N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 160804380

Frequently Asked Questions

What is the IUPAC name of 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The IUPAC name of 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (CID 168775239) is 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.
What is the SMILES notation for 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The canonical SMILES for 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccccc2C32c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The InChIKey is ZYZQSSVGTVGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-21-41(22-6-1)46-29-17-20-36-56(46)61(44-27-11-4-12-28-44)57-40-55-58(49-32-14-13-31-48(49)57)50-33-16-19-35-53(50)59(55)52-34-18-15-30-47(52)51-39-45(37-38-54(51)59)60(42-23-7-2-8-24-42)43-25-9-3-10-26-43/h1-40H.
What are the key properties of 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine has a molecular weight of 776.98 g/mol, XLogP of 15.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is sourced from PubChem (CID 168775239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).