N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane

C57H42N2 — CID 145464353

IUPACN-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
SMILESCC.c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H36N2.C2H6/c1-2-16-37(17-3-1)41-18-7-13-27-52(41)56(38-30-32-39(33-31-38)57-53-28-14-8-22-46(53)47-23-9-15-29-54(47)57)40-34-35-45-44-21-6-12-26-50(44)55(51(45)36-40)48-24-10-4-19-42(48)43-20-5-11-25-49(43)55;1-2/h1-36H;1-2H3
InChIKeyQMAFTMCLWJUBGA-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.29
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane

N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane (PubChem CID 145464353) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
PubChem CID145464353
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
SMILESCC.c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H36N2.C2H6/c1-2-16-37(17-3-1)41-18-7-13-27-52(41)56(38-30-32-39(33-31-38)57-53-28-14-8-22-46(53)47-23-9-15-29-54(47)57)40-34-35-45-44-21-6-12-26-50(44)55(51(45)36-40)48-24-10-4-19-42(48)43-20-5-11-25-49(43)55;1-2/h1-36H;1-2H3
InChIKeyQMAFTMCLWJUBGA-UHFFFAOYSA-N
XLogP15.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-(4-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790311
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166476
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112713
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
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
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-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166479

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane (CID 145464353) is N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane is CC.c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane?
The InChIKey is QMAFTMCLWJUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2.C2H6/c1-2-16-37(17-3-1)41-18-7-13-27-52(41)56(38-30-32-39(33-31-38)57-53-28-14-8-22-46(53)47-23-9-15-29-54(47)57)40-34-35-45-44-21-6-12-26-50(44)55(51(45)36-40)48-24-10-4-19-42(48)43-20-5-11-25-49(43)55;1-2/h1-36H;1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane?
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane has a molecular weight of 754.98 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane is sourced from PubChem (CID 145464353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).