4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine

C61H40N2 — CID 168775420

IUPAC4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C61H40N2/c1-3-22-45(23-4-1)62(47-36-34-41-18-7-9-20-43(41)38-47)57-33-17-32-55-60(57)52-29-14-16-31-54(52)61(55)53-30-15-13-28-51(53)59-50-27-12-11-26-49(50)58(40-56(59)61)63(46-24-5-2-6-25-46)48-37-35-42-19-8-10-21-44(42)39-48/h1-40H
InChIKeyBXYWGBPYCZSGTR-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.43
Rot. Bonds6

About 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine

4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine (PubChem CID 168775420) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine.

Molecular Properties

Compound Name4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
PubChem CID168775420
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C61H40N2/c1-3-22-45(23-4-1)62(47-36-34-41-18-7-9-20-43(41)38-47)57-33-17-32-55-60(57)52-29-14-16-31-54(52)61(55)53-30-15-13-28-51(53)59-50-27-12-11-26-49(50)58(40-56(59)61)63(46-24-5-2-6-25-46)48-37-35-42-19-8-10-21-44(42)39-48/h1-40H
InChIKeyBXYWGBPYCZSGTR-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

3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168359
4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
CID 167178088
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
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
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
3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
CID 134529903
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344

Frequently Asked Questions

What is the IUPAC name of 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine?
The IUPAC name of 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine (CID 168775420) is 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine.
What is the SMILES notation for 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine?
The canonical SMILES for 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)cc1.
What is the InChIKey of 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine?
The InChIKey is BXYWGBPYCZSGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-3-22-45(23-4-1)62(47-36-34-41-18-7-9-20-43(41)38-47)57-33-17-32-55-60(57)52-29-14-16-31-54(52)61(55)53-30-15-13-28-51(53)59-50-27-12-11-26-49(50)58(40-56(59)61)63(46-24-5-2-6-25-46)48-37-35-42-19-8-10-21-44(42)39-48/h1-40H.
What are the key properties of 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine?
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',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 4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine is sourced from PubChem (CID 168775420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).