2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine

C77H74N2 — CID 146587287

IUPAC2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c(cc42)-c2ccccc2C2C=CC=CC52)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C77H74N2/c1-73(2,3)49-25-33-53(34-26-49)78(54-35-27-50(28-36-54)74(4,5)6)57-41-43-64-65-44-42-58(79(55-37-29-51(30-38-55)75(7,8)9)56-39-31-52(32-40-56)76(10,11)12)46-71(65)77(70(64)45-57)69-24-18-17-23-63(69)68-47-66-61-21-15-13-19-59(61)60-20-14-16-22-62(60)67(66)48-72(68)77/h13-48,59,61H,1-12H3
InChIKeyYYQBTHCNZCKHEC-UHFFFAOYSA-N
MW1027.45 g/mol
LogP21.13
Rot. Bonds6

About 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine (PubChem CID 146587287) has the molecular formula C77H74N2 and a molecular weight of 1027.45 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine
PubChem CID146587287
Molecular FormulaC77H74N2
Molecular Weight1027.45 g/mol
Exact Mass1026.59
IUPAC Name2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c(cc42)-c2ccccc2C2C=CC=CC52)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C77H74N2/c1-73(2,3)49-25-33-53(34-26-49)78(54-35-27-50(28-36-54)74(4,5)6)57-41-43-64-65-44-42-58(79(55-37-29-51(30-38-55)75(7,8)9)56-39-31-52(32-40-56)76(10,11)12)46-71(65)77(70(64)45-57)69-24-18-17-23-63(69)68-47-66-61-21-15-13-19-59(61)60-20-14-16-22-62(60)67(66)48-72(68)77/h13-48,59,61H,1-12H3
InChIKeyYYQBTHCNZCKHEC-UHFFFAOYSA-N
XLogP21.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.45
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine with MolForge

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Related Compounds

2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
CID 155029369
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-[4-(1-adamantyl)phenyl]-3,6-ditert-butyl-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2'-amine
CID 177067356
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine (CID 146587287) is 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c(cc42)-c2ccccc2C2C=CC=CC52)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine?
The InChIKey is YYQBTHCNZCKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H74N2/c1-73(2,3)49-25-33-53(34-26-49)78(54-35-27-50(28-36-54)74(4,5)6)57-41-43-64-65-44-42-58(79(55-37-29-51(30-38-55)75(7,8)9)56-39-31-52(32-40-56)76(10,11)12)46-71(65)77(70(64)45-57)69-24-18-17-23-63(69)68-47-66-61-21-15-13-19-59(61)60-20-14-16-22-62(60)67(66)48-72(68)77/h13-48,59,61H,1-12H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine has a molecular weight of 1027.45 g/mol, XLogP of 21.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine is sourced from PubChem (CID 146587287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).