N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine

C48H30FNS — CID 129130372

IUPACN-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine
SMILESCc1ccc(N(c2cccc(F)c2)c2cc3c(c4c2sc2ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H30FNS/c1-29-21-24-32(25-22-29)50(33-13-10-12-31(49)27-33)42-28-41-46(45-37-17-6-9-20-43(37)51-47(42)45)44-34-14-3-2-11-30(34)23-26-40(44)48(41)38-18-7-4-15-35(38)36-16-5-8-19-39(36)48/h2-28H,1H3
InChIKeyWMUOBKOVSPNDOJ-UHFFFAOYSA-N
MW671.84 g/mol
LogP13.47
Rot. Bonds3

About N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine

N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine (PubChem CID 129130372) has the molecular formula C48H30FNS and a molecular weight of 671.84 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine
PubChem CID129130372
Molecular FormulaC48H30FNS
Molecular Weight671.84 g/mol
Exact Mass671.21
IUPAC NameN-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine
SMILESCc1ccc(N(c2cccc(F)c2)c2cc3c(c4c2sc2ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H30FNS/c1-29-21-24-32(25-22-29)50(33-13-10-12-31(49)27-33)42-28-41-46(45-37-17-6-9-20-43(37)51-47(42)45)44-34-14-3-2-11-30(34)23-26-40(44)48(41)38-18-7-4-15-35(38)36-16-5-8-19-39(36)48/h2-28H,1H3
InChIKeyWMUOBKOVSPNDOJ-UHFFFAOYSA-N
XLogP13.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine with MolForge

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Related Compounds

N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494887
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 122504095
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 134195004
12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-2-yl-15,15-diphenyl-10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine;12-N,18-N-diphenyl-12-N,18-N-bis(6-phenylnaphthalen-2-yl)spiro[4,26-dithiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-15,15-diphenyl-4,26-dithiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,20-dithiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,9'-fluorene]-12,18-diamine
CID 159090162
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-1-amine
CID 135229601
N-(4-methylphenyl)-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494242
N-[4-(4-methylphenyl)phenyl]-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(2-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(3-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(4-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 159179236
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(4-methylphenyl)-5-N'-[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine
CID 145003671
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine?
The IUPAC name of N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine (CID 129130372) is N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine is Cc1ccc(N(c2cccc(F)c2)c2cc3c(c4c2sc2ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine?
The InChIKey is WMUOBKOVSPNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FNS/c1-29-21-24-32(25-22-29)50(33-13-10-12-31(49)27-33)42-28-41-46(45-37-17-6-9-20-43(37)51-47(42)45)44-34-14-3-2-11-30(34)23-26-40(44)48(41)38-18-7-4-15-35(38)36-16-5-8-19-39(36)48/h2-28H,1H3.
What are the key properties of N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine?
N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine has a molecular weight of 671.84 g/mol, XLogP of 13.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(4-methylphenyl)spiro[9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11-amine is sourced from PubChem (CID 129130372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).