5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C61H40N2 — CID 169009579

IUPAC5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)43-22-16-25-45(38-43)62(46-35-37-58-53(39-46)60-48(42-20-6-2-7-21-42)29-17-33-59(60)63(58)44-23-8-3-9-24-44)47-34-36-52-51-28-12-15-32-56(51)61(57(52)40-47)54-30-13-10-26-49(54)50-27-11-14-31-55(50)61/h1-40H
InChIKeyXQTLOPOSOGDLGY-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.93
Rot. Bonds6

About 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 169009579) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID169009579
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)43-22-16-25-45(38-43)62(46-35-37-58-53(39-46)60-48(42-20-6-2-7-21-42)29-17-33-59(60)63(58)44-23-8-3-9-24-44)47-34-36-52-51-28-12-15-32-56(51)61(57(52)40-47)54-30-13-10-26-49(54)50-27-11-14-31-55(50)61/h1-40H
InChIKeyXQTLOPOSOGDLGY-UHFFFAOYSA-N
XLogP15.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 169009697
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
CID 169010390
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165155468
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309110

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 169009579) is 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is XQTLOPOSOGDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-18-41(19-5-1)43-22-16-25-45(38-43)62(46-35-37-58-53(39-46)60-48(42-20-6-2-7-21-42)29-17-33-59(60)63(58)44-23-8-3-9-24-44)47-34-36-52-51-28-12-15-32-56(51)61(57(52)40-47)54-30-13-10-26-49(54)50-27-11-14-31-55(50)61/h1-40H.
What are the key properties of 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 801.01 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 169009579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).