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

C70H61N — CID 166880976

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc5c(cc4-c4cc6c(cc43)C3CCCC4CC6CC43)C3CC4CC(C3)CC5C4)cc21
InChIInChI=1S/C70H61N/c1-69(2)61-18-8-6-15-51(61)52-27-26-49(35-64(52)69)71(48-24-22-43(23-25-48)42-12-4-3-5-13-42)67-21-11-20-63-68(67)53-16-7-9-19-62(53)70(63)65-38-57-46-31-40-28-41(32-46)30-45(29-40)55(57)36-59(65)60-37-56-47-33-44-14-10-17-50(54(44)34-47)58(56)39-66(60)70/h3-9,11-13,15-16,18-27,35-41,44-47,50,54H,10,14,17,28-34H2,1-2H3
InChIKeyWWQOHQKUEXHLGR-UHFFFAOYSA-N
MW916.27 g/mol
LogP18.25
Rot. Bonds4

About 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

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 (PubChem CID 166880976) has the molecular formula C70H61N and a molecular weight of 916.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166880976
Molecular FormulaC70H61N
Molecular Weight916.27 g/mol
Exact Mass915.48
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc5c(cc4-c4cc6c(cc43)C3CCCC4CC6CC43)C3CC4CC(C3)CC5C4)cc21
InChIInChI=1S/C70H61N/c1-69(2)61-18-8-6-15-51(61)52-27-26-49(35-64(52)69)71(48-24-22-43(23-25-48)42-12-4-3-5-13-42)67-21-11-20-63-68(67)53-16-7-9-19-62(53)70(63)65-38-57-46-31-40-28-41(32-46)30-45(29-40)55(57)36-59(65)60-37-56-47-33-44-14-10-17-50(54(44)34-47)58(56)39-66(60)70/h3-9,11-13,15-16,18-27,35-41,44-47,50,54H,10,14,17,28-34H2,1-2H3
InChIKeyWWQOHQKUEXHLGR-UHFFFAOYSA-N
XLogP18.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.27
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
CID 158813700
CID 158813700
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
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc5c(cc4-c4cc6c(cc43)C3CCCC4CC6CC43)C3CC4CC(C3)CC5C4)cc21.
What is the InChIKey of 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?
The InChIKey is WWQOHQKUEXHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H61N/c1-69(2)61-18-8-6-15-51(61)52-27-26-49(35-64(52)69)71(48-24-22-43(23-25-48)42-12-4-3-5-13-42)67-21-11-20-63-68(67)53-16-7-9-19-62(53)70(63)65-38-57-46-31-40-28-41(32-46)30-45(29-40)55(57)36-59(65)60-37-56-47-33-44-14-10-17-50(54(44)34-47)58(56)39-66(60)70/h3-9,11-13,15-16,18-27,35-41,44-47,50,54H,10,14,17,28-34H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 916.27 g/mol, XLogP of 18.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).