4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine

C53H36N2 — CID 168775348

IUPAC4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c32)cc1
InChIInChI=1S/C53H36N2/c1-5-21-38(22-6-1)54(39-23-7-2-8-24-39)49-35-19-34-48-50(49)44-31-16-18-33-47(44)53(48)46-32-17-15-30-43(46)45-36-37-20-13-14-29-42(37)52(51(45)53)55(40-25-9-3-10-26-40)41-27-11-4-12-28-41/h1-36H
InChIKeyALWSPRQHOJZCRF-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.12
Rot. Bonds6

About 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine

4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine (PubChem CID 168775348) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine.

Molecular Properties

Compound Name4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
PubChem CID168775348
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c32)cc1
InChIInChI=1S/C53H36N2/c1-5-21-38(22-6-1)54(39-23-7-2-8-24-39)49-35-19-34-48-50(49)44-31-16-18-33-47(44)53(48)46-32-17-15-30-43(46)45-36-37-20-13-14-29-42(37)52(51(45)53)55(40-25-9-3-10-26-40)41-27-11-4-12-28-41/h1-36H
InChIKeyALWSPRQHOJZCRF-UHFFFAOYSA-N
XLogP14.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine with MolForge

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Related Compounds

4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775272
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775025
4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
CID 168775231
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
4-N'-dibenzothiophen-1-yl-4-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775519
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
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',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine?
The IUPAC name of 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine (CID 168775348) is 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine.
What is the SMILES notation for 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine?
The canonical SMILES for 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine is c1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c32)cc1.
What is the InChIKey of 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine?
The InChIKey is ALWSPRQHOJZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-5-21-38(22-6-1)54(39-23-7-2-8-24-39)49-35-19-34-48-50(49)44-31-16-18-33-47(44)53(48)46-32-17-15-30-43(46)45-36-37-20-13-14-29-42(37)52(51(45)53)55(40-25-9-3-10-26-40)41-27-11-4-12-28-41/h1-36H.
What are the key properties of 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine?
4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine has a molecular weight of 700.89 g/mol, XLogP of 14.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',4-N',10-N,10-N-tetraphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',10-diamine is sourced from PubChem (CID 168775348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).