10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine

C74H64N2O2S — CID 162698443

IUPAC10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine
SMILESCC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)Sc2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5oc6ccccc6c45)c4ccccc24)C32C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H64N2O2S/c1-72(2,3)46-29-33-50(34-30-46)75(60-23-15-27-66-68(60)56-21-11-13-25-64(56)77-66)62-42-58-70(54-19-9-7-17-52(54)62)79-71-55-20-10-8-18-53(55)63(43-59(71)74(58)48-38-44-37-45(40-48)41-49(74)39-44)76(51-35-31-47(32-36-51)73(4,5)6)61-24-16-28-67-69(61)57-22-12-14-26-65(57)78-67/h7-36,42-45,48-49H,37-41H2,1-6H3
InChIKeyFDTIXOCBFPALAH-UHFFFAOYSA-N
MW1045.40 g/mol
LogP21.53
Rot. Bonds6

About 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine

10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine (PubChem CID 162698443) has the molecular formula C74H64N2O2S and a molecular weight of 1045.40 g/mol. Its IUPAC name is 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine.

Molecular Properties

Compound Name10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine
PubChem CID162698443
Molecular FormulaC74H64N2O2S
Molecular Weight1045.40 g/mol
Exact Mass1044.47
IUPAC Name10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine
SMILESCC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)Sc2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5oc6ccccc6c45)c4ccccc24)C32C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H64N2O2S/c1-72(2,3)46-29-33-50(34-30-46)75(60-23-15-27-66-68(60)56-21-11-13-25-64(56)77-66)62-42-58-70(54-19-9-7-17-52(54)62)79-71-55-20-10-8-18-53(55)63(43-59(71)74(58)48-38-44-37-45(40-48)41-49(74)39-44)76(51-35-31-47(32-36-51)73(4,5)6)61-24-16-28-67-69(61)57-22-12-14-26-65(57)78-67/h7-36,42-45,48-49H,37-41H2,1-6H3
InChIKeyFDTIXOCBFPALAH-UHFFFAOYSA-N
XLogP21.53
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.40
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-di(dibenzofuran-1-yl)spiro[adamantane-2,12'-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',15'-diamine
CID 162698580
7-N',16-N'-bis(4-tert-butylphenyl)-7-N',16-N'-di(dibenzofuran-1-yl)spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',16'-diamine
CID 162698449
5-N',9-N'-bis[4-(4-tert-butylphenyl)phenyl]-5-N',9-N'-di(dibenzofuran-3-yl)spiro[adamantane-2,7'-benzo[c]xanthene]-5',9'-diamine
CID 147274546
N-(4-spiro[adamantane-2,9'-thioxanthene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176595013
8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)spiro[11,25-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine
CID 162698368
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155088963
N-(3-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-1-amine
CID 157240571
10-N,16-N-bis[9-(4-tert-butylphenyl)carbazol-3-yl]-10-N,16-N-bis(4-fluorophenyl)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-13,2'-adamantane]-10,16-diamine
CID 162698564
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140171
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998

Frequently Asked Questions

What is the IUPAC name of 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine?
The IUPAC name of 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine (CID 162698443) is 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine.
What is the SMILES notation for 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine?
The canonical SMILES for 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine is CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)Sc2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5oc6ccccc6c45)c4ccccc24)C32C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine?
The InChIKey is FDTIXOCBFPALAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2S/c1-72(2,3)46-29-33-50(34-30-46)75(60-23-15-27-66-68(60)56-21-11-13-25-64(56)77-66)62-42-58-70(54-19-9-7-17-52(54)62)79-71-55-20-10-8-18-53(55)63(43-59(71)74(58)48-38-44-37-45(40-48)41-49(74)39-44)76(51-35-31-47(32-36-51)73(4,5)6)61-24-16-28-67-69(61)57-22-12-14-26-65(57)78-67/h7-36,42-45,48-49H,37-41H2,1-6H3.
What are the key properties of 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine?
10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine has a molecular weight of 1045.40 g/mol, XLogP of 21.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine is sourced from PubChem (CID 162698443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).