4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine

C59H40N2 — CID 168775272

IUPAC4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c3c(cc4ccccc24)C2(c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H40N2/c1-5-22-41(23-6-1)46-31-17-20-38-54(46)61(45-29-11-4-12-30-45)58-47-32-14-13-24-42(47)40-53-57(58)49-34-16-19-36-51(49)59(53)50-35-18-15-33-48(50)56-52(59)37-21-39-55(56)60(43-25-7-2-8-26-43)44-27-9-3-10-28-44/h1-40H
InChIKeyNBWUTFWGQWJVAP-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.79
Rot. Bonds7

About 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine

4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine (PubChem CID 168775272) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine.

Molecular Properties

Compound Name4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
PubChem CID168775272
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c3c(cc4ccccc24)C2(c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H40N2/c1-5-22-41(23-6-1)46-31-17-20-38-54(46)61(45-29-11-4-12-30-45)58-47-32-14-13-24-42(47)40-53-57(58)49-34-16-19-36-51(49)59(53)50-35-18-15-33-48(50)56-52(59)37-21-39-55(56)60(43-25-7-2-8-26-43)44-27-9-3-10-28-44/h1-40H
InChIKeyNBWUTFWGQWJVAP-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

N-(2-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-5-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477603
4-N'-dibenzothiophen-1-yl-4-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775519
4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
CID 168775348
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
2-N',4-N'-diphenyl-2-N',4-N'-bis(2-phenylphenyl)-9,9'-spirobi[fluorene]-2',4'-diamine
CID 153313702
N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 139355134
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170117389

Frequently Asked Questions

What is the IUPAC name of 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine?
The IUPAC name of 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine (CID 168775272) is 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine.
What is the SMILES notation for 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine?
The canonical SMILES for 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2c3c(cc4ccccc24)C2(c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc42)c2ccccc2-3)cc1.
What is the InChIKey of 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine?
The InChIKey is NBWUTFWGQWJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-22-41(23-6-1)46-31-17-20-38-54(46)61(45-29-11-4-12-30-45)58-47-32-14-13-24-42(47)40-53-57(58)49-34-16-19-36-51(49)59(53)50-35-18-15-33-48(50)56-52(59)37-21-39-55(56)60(43-25-7-2-8-26-43)44-27-9-3-10-28-44/h1-40H.
What are the key properties of 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine?
4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',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 4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine is sourced from PubChem (CID 168775272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).