N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine

C177H126N6OS — CID 157112455

IUPACN-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21
InChIInChI=1S/C61H46N2.C58H40N2O.C58H40N2S/c1-59(2)48-22-10-8-19-44(48)45-35-33-42(37-54(45)59)62(41-31-29-40(30-32-41)39-17-6-5-7-18-39)43-34-36-51-55(38-43)60(3,4)49-23-11-12-24-50(49)61(51)52-25-13-15-28-57(52)63-56-27-14-9-20-46(56)47-21-16-26-53(61)58(47)63;2*1-57(2)46-20-8-6-17-42(46)43-33-31-40(35-51(43)57)59(39-29-27-38(28-30-39)37-15-4-3-5-16-37)41-32-34-49-55(36-41)61-54-26-13-10-22-48(54)58(49)47-21-9-12-25-53(47)60-52-24-11-7-18-44(52)45-19-14-23-50(58)56(45)60/h5-38H,1-4H3;2*3-36H,1-2H3
InChIKeyAGZYTRZJSHDNGB-UHFFFAOYSA-N
MW2385.06 g/mol
LogP45.98
Rot. Bonds12

About N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine (PubChem CID 157112455) has the molecular formula C177H126N6OS and a molecular weight of 2385.06 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
PubChem CID157112455
Molecular FormulaC177H126N6OS
Molecular Weight2385.06 g/mol
Exact Mass2382.97
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21
InChIInChI=1S/C61H46N2.C58H40N2O.C58H40N2S/c1-59(2)48-22-10-8-19-44(48)45-35-33-42(37-54(45)59)62(41-31-29-40(30-32-41)39-17-6-5-7-18-39)43-34-36-51-55(38-43)60(3,4)49-23-11-12-24-50(49)61(51)52-25-13-15-28-57(52)63-56-27-14-9-20-46(56)47-21-16-26-53(61)58(47)63;2*1-57(2)46-20-8-6-17-42(46)43-33-31-40(35-51(43)57)59(39-29-27-38(28-30-39)37-15-4-3-5-16-37)41-32-34-49-55(36-41)61-54-26-13-10-22-48(54)58(49)47-21-9-12-25-53(47)60-52-24-11-7-18-44(52)45-19-14-23-50(58)56(45)60/h5-38H,1-4H3;2*3-36H,1-2H3
InChIKeyAGZYTRZJSHDNGB-UHFFFAOYSA-N
XLogP45.98
TPSA33.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002385.06
LogP ≤ 545.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine (CID 157112455) is N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The InChIKey is AGZYTRZJSHDNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2.C58H40N2O.C58H40N2S/c1-59(2)48-22-10-8-19-44(48)45-35-33-42(37-54(45)59)62(41-31-29-40(30-32-41)39-17-6-5-7-18-39)43-34-36-51-55(38-43)60(3,4)49-23-11-12-24-50(49)61(51)52-25-13-15-28-57(52)63-56-27-14-9-20-46(56)47-21-16-26-53(61)58(47)63;2*1-57(2)46-20-8-6-17-42(46)43-33-31-40(35-51(43)57)59(39-29-27-38(28-30-39)37-15-4-3-5-16-37)41-32-34-49-55(36-41)61-54-26-13-10-22-48(54)58(49)47-21-9-12-25-53(47)60-52-24-11-7-18-44(52)45-19-14-23-50(58)56(45)60/h5-38H,1-4H3;2*3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine has a molecular weight of 2385.06 g/mol, XLogP of 45.98, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-thioxanthene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine is sourced from PubChem (CID 157112455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).