3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline

C79H65N — CID 163787725

IUPAC3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5cc6c(cc5-c5cc7c(cc54)C4CC5CC(CC7C5)C4)C4CC5CC(C4)CC6C5)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C79H65N/c1-4-13-52(14-5-1)55-23-27-63(28-24-55)80(65-42-57(53-15-6-2-7-16-53)41-58(43-65)54-17-8-3-9-18-54)64-29-25-56(26-30-64)66-20-12-22-75-78(66)67-19-10-11-21-74(67)79(75)76-46-70-61-37-48-31-49(38-61)34-59(33-48)68(70)44-72(76)73-45-69-60-35-50-32-51(36-60)40-62(39-50)71(69)47-77(73)79/h1-30,41-51,59-62H,31-40H2
InChIKeyMTZNEVMTWHMBLI-UHFFFAOYSA-N
MW1028.40 g/mol
LogP20.95
Rot. Bonds7

About 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline

3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline (PubChem CID 163787725) has the molecular formula C79H65N and a molecular weight of 1028.40 g/mol. Its IUPAC name is 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline.

Molecular Properties

Compound Name3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline
PubChem CID163787725
Molecular FormulaC79H65N
Molecular Weight1028.40 g/mol
Exact Mass1027.51
IUPAC Name3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5cc6c(cc5-c5cc7c(cc54)C4CC5CC(CC7C5)C4)C4CC5CC(C4)CC6C5)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C79H65N/c1-4-13-52(14-5-1)55-23-27-63(28-24-55)80(65-42-57(53-15-6-2-7-16-53)41-58(43-65)54-17-8-3-9-18-54)64-29-25-56(26-30-64)66-20-12-22-75-78(66)67-19-10-11-21-74(67)79(75)76-46-70-61-37-48-31-49(38-61)34-59(33-48)68(70)44-72(76)73-45-69-60-35-50-32-51(36-60)40-62(39-50)71(69)47-77(73)79/h1-30,41-51,59-62H,31-40H2
InChIKeyMTZNEVMTWHMBLI-UHFFFAOYSA-N
XLogP20.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.40
LogP ≤ 520.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
CID 118153657
CID 118153657
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,19'-nonacyclo[23.3.1.18,11.123,27.02,22.04,20.05,18.07,16.010,15]hentriaconta-2(22),3,5,7(16),17,20-hexaene]-4-amine
CID 166880976
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline?
The IUPAC name of 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline (CID 163787725) is 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline.
What is the SMILES notation for 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline?
The canonical SMILES for 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5cc6c(cc5-c5cc7c(cc54)C4CC5CC(CC7C5)C4)C4CC5CC(C4)CC6C5)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline?
The InChIKey is MTZNEVMTWHMBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H65N/c1-4-13-52(14-5-1)55-23-27-63(28-24-55)80(65-42-57(53-15-6-2-7-16-53)41-58(43-65)54-17-8-3-9-18-54)64-29-25-56(26-30-64)66-20-12-22-75-78(66)67-19-10-11-21-74(67)79(75)76-46-70-61-37-48-31-49(38-61)34-59(33-48)68(70)44-72(76)73-45-69-60-35-50-32-51(36-60)40-62(39-50)71(69)47-77(73)79/h1-30,41-51,59-62H,31-40H2.
What are the key properties of 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline?
3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline has a molecular weight of 1028.40 g/mol, XLogP of 20.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,18'-nonacyclo[22.3.1.18,12.110,14.122,26.02,21.04,19.05,17.07,15]hentriaconta-2(21),3,5,7(15),16,19-hexaene]-4-ylphenyl)aniline is sourced from PubChem (CID 163787725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).