3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

C61H40N2 — CID 168775207

IUPAC3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C61H40N2/c1-3-21-45(22-4-1)62(47-33-31-41-17-7-9-19-43(41)37-47)49-35-36-57-54(39-49)50-25-13-15-29-55(50)61(57)56-30-16-14-28-53(56)60-52-27-12-11-26-51(52)59(40-58(60)61)63(46-23-5-2-6-24-46)48-34-32-42-18-8-10-20-44(42)38-48/h1-40H
InChIKeyHYGFIKCENUHMOA-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.43
Rot. Bonds6

About 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (PubChem CID 168775207) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.

Molecular Properties

Compound Name3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
PubChem CID168775207
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C61H40N2/c1-3-21-45(22-4-1)62(47-33-31-41-17-7-9-19-43(41)37-47)49-35-36-57-54(39-49)50-25-13-15-29-55(50)61(57)56-30-16-14-28-53(56)60-52-27-12-11-26-51(52)59(40-58(60)61)63(46-23-5-2-6-24-46)48-34-32-42-18-8-10-20-44(42)38-48/h1-40H
InChIKeyHYGFIKCENUHMOA-UHFFFAOYSA-N
XLogP16.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
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,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
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
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
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

Frequently Asked Questions

What is the IUPAC name of 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The IUPAC name of 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (CID 168775207) is 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.
What is the SMILES notation for 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The canonical SMILES for 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The InChIKey is HYGFIKCENUHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-3-21-45(22-4-1)62(47-33-31-41-17-7-9-19-43(41)37-47)49-35-36-57-54(39-49)50-25-13-15-29-55(50)61(57)56-30-16-14-28-53(56)60-52-27-12-11-26-51(52)59(40-58(60)61)63(46-23-5-2-6-24-46)48-34-32-42-18-8-10-20-44(42)38-48/h1-40H.
What are the key properties of 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine has a molecular weight of 801.01 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is sourced from PubChem (CID 168775207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).