9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine

C90H86N4 — CID 171449587

IUPAC9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c3c4cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c3c(N(c3cccc(C)c3)c3ccc6c(c3)C(C)(C)c3ccccc3-6)c3c6cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n(c23)c76)c54)c1
InChIInChI=1S/C90H86N4/c1-51-25-23-27-57(41-51)91(59-35-37-63-61-29-19-21-31-71(61)89(15,16)73(63)49-59)81-77-69-47-55(87(9,10)11)45-67-66-44-54(86(6,7)8)34-40-76(66)94(79(67)69)84(77)82(92(58-28-24-26-52(2)42-58)60-36-38-64-62-30-20-22-32-72(62)90(17,18)74(64)50-60)78-70-48-56(88(12,13)14)46-68-65-43-53(85(3,4)5)33-39-75(65)93(80(68)70)83(78)81/h19-50H,1-18H3
InChIKeyUDWKSUSXYIOPKS-UHFFFAOYSA-N
MW1223.71 g/mol
LogP25.35
Rot. Bonds6

About 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine

9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine (PubChem CID 171449587) has the molecular formula C90H86N4 and a molecular weight of 1223.71 g/mol. Its IUPAC name is 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine.

Molecular Properties

Compound Name9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
PubChem CID171449587
Molecular FormulaC90H86N4
Molecular Weight1223.71 g/mol
Exact Mass1222.69
IUPAC Name9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c3c4cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c3c(N(c3cccc(C)c3)c3ccc6c(c3)C(C)(C)c3ccccc3-6)c3c6cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n(c23)c76)c54)c1
InChIInChI=1S/C90H86N4/c1-51-25-23-27-57(41-51)91(59-35-37-63-61-29-19-21-31-71(61)89(15,16)73(63)49-59)81-77-69-47-55(87(9,10)11)45-67-66-44-54(86(6,7)8)34-40-76(66)94(79(67)69)84(77)82(92(58-28-24-26-52(2)42-58)60-36-38-64-62-30-20-22-32-72(62)90(17,18)74(64)50-60)78-70-48-56(88(12,13)14)46-68-65-43-53(85(3,4)5)33-39-75(65)93(80(68)70)83(78)81/h19-50H,1-18H3
InChIKeyUDWKSUSXYIOPKS-UHFFFAOYSA-N
XLogP25.35
TPSA15.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.71
LogP ≤ 525.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Analyze 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine with MolForge

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Related Compounds

9,14,24,29-tetratert-butyl-3-N,3-N,18-N,18-N-tetrakis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine
CID 171449223
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309728
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
4-N,4-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-1-N,1-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,4-diamine
CID 163965613
N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-N-(3-methylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
CID 70885603
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 164840295
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160612005
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226

Frequently Asked Questions

What is the IUPAC name of 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?
The IUPAC name of 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine (CID 171449587) is 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine.
What is the SMILES notation for 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?
The canonical SMILES for 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine is Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c3c4cc(C(C)(C)C)cc5c6cc(C(C)(C)C)ccc6n(c3c(N(c3cccc(C)c3)c3ccc6c(c3)C(C)(C)c3ccccc3-6)c3c6cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n(c23)c76)c54)c1.
What is the InChIKey of 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?
The InChIKey is UDWKSUSXYIOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H86N4/c1-51-25-23-27-57(41-51)91(59-35-37-63-61-29-19-21-31-71(61)89(15,16)73(63)49-59)81-77-69-47-55(87(9,10)11)45-67-66-44-54(86(6,7)8)34-40-76(66)94(79(67)69)84(77)82(92(58-28-24-26-52(2)42-58)60-36-38-64-62-30-20-22-32-72(62)90(17,18)74(64)50-60)78-70-48-56(88(12,13)14)46-68-65-43-53(85(3,4)5)33-39-75(65)93(80(68)70)83(78)81/h19-50H,1-18H3.
What are the key properties of 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine?
9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine has a molecular weight of 1223.71 g/mol, XLogP of 25.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,24,29-tetratert-butyl-3-N,18-N-bis(9,9-dimethylfluoren-2-yl)-3-N,18-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-3,18-diamine is sourced from PubChem (CID 171449587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).