N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C73H46N2O — CID 122578447

IUPACN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H46N2O/c1-3-17-47(18-4-1)49-31-37-52(38-32-49)74(55-43-44-59-58-23-9-14-28-66(58)73(67(59)45-55)64-26-12-7-21-56(64)57-22-8-13-27-65(57)73)53-41-35-51(36-42-53)62-46-63-60-24-10-15-29-68(60)75(54-39-33-50(34-40-54)48-19-5-2-6-20-48)71(63)70-61-25-11-16-30-69(61)76-72(62)70/h1-46H
InChIKeyYZCYWLOOCILLNP-UHFFFAOYSA-N
MW967.18 g/mol
LogP19.50
Rot. Bonds7

About N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 122578447) has the molecular formula C73H46N2O and a molecular weight of 967.18 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID122578447
Molecular FormulaC73H46N2O
Molecular Weight967.18 g/mol
Exact Mass966.36
IUPAC NameN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H46N2O/c1-3-17-47(18-4-1)49-31-37-52(38-32-49)74(55-43-44-59-58-23-9-14-28-66(58)73(67(59)45-55)64-26-12-7-21-56(64)57-22-8-13-27-65(57)73)53-41-35-51(36-42-53)62-46-63-60-24-10-15-29-68(60)75(54-39-33-50(34-40-54)48-19-5-2-6-20-48)71(63)70-61-25-11-16-30-69(61)76-72(62)70/h1-46H
InChIKeyYZCYWLOOCILLNP-UHFFFAOYSA-N
XLogP19.50
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.18
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 122578451
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
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
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168805131
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 154955024
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799120
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164956746
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
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
CID 158408107

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 122578447) is N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YZCYWLOOCILLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2O/c1-3-17-47(18-4-1)49-31-37-52(38-32-49)74(55-43-44-59-58-23-9-14-28-66(58)73(67(59)45-55)64-26-12-7-21-56(64)57-22-8-13-27-65(57)73)53-41-35-51(36-42-53)62-46-63-60-24-10-15-29-68(60)75(54-39-33-50(34-40-54)48-19-5-2-6-20-48)71(63)70-61-25-11-16-30-69(61)76-72(62)70/h1-46H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 967.18 g/mol, XLogP of 19.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 122578447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).