2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

C65H43N3 — CID 168775130

IUPAC2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)62-53-33-16-19-36-56(53)65(64(61)62)55-35-18-15-32-51(55)52-41-40-49(43-57(52)65)67(47-27-9-3-10-28-47)59-38-21-39-60-63(59)54-34-17-20-37-58(54)68(60)48-29-11-4-12-30-48/h1-43H
InChIKeyWKROMAZTALIWGH-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (PubChem CID 168775130) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.

Molecular Properties

Compound Name2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
PubChem CID168775130
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)62-53-33-16-19-36-56(53)65(64(61)62)55-35-18-15-32-51(55)52-41-40-49(43-57(52)65)67(47-27-9-3-10-28-47)59-38-21-39-60-63(59)54-34-17-20-37-58(54)68(60)48-29-11-4-12-30-48/h1-43H
InChIKeyWKROMAZTALIWGH-UHFFFAOYSA-N
XLogP17.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine with MolForge

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Related Compounds

9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
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
2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-2-N-(9-phenylcarbazol-4-yl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791410
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
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309110
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098

Frequently Asked Questions

What is the IUPAC name of 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The IUPAC name of 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (CID 168775130) is 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.
What is the SMILES notation for 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The canonical SMILES for 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is c1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The InChIKey is WKROMAZTALIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)62-53-33-16-19-36-56(53)65(64(61)62)55-35-18-15-32-51(55)52-41-40-49(43-57(52)65)67(47-27-9-3-10-28-47)59-38-21-39-60-63(59)54-34-17-20-37-58(54)68(60)48-29-11-4-12-30-48/h1-43H.
What are the key properties of 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168775130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).