17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine

C59H51N — CID 58402179

IUPAC17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
SMILESCC(C)(C)c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C
InChIInChI=1S/C59H51N/c1-56(2,3)37-28-34-18-19-36-30-52-55(46-24-20-35(29-37)53(34)54(36)46)45-27-23-40(33-51(45)59(52,8)9)60(38-21-25-43-41-14-10-12-16-47(41)57(4,5)49(43)31-38)39-22-26-44-42-15-11-13-17-48(42)58(6,7)50(44)32-39/h10-33H,1-9H3
InChIKeyLZDSTWTUJUKCDL-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.27
Rot. Bonds3

About 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine

17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine (PubChem CID 58402179) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine.

Molecular Properties

Compound Name17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
PubChem CID58402179
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC Name17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
SMILESCC(C)(C)c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C
InChIInChI=1S/C59H51N/c1-56(2,3)37-28-34-18-19-36-30-52-55(46-24-20-35(29-37)53(34)54(36)46)45-27-23-40(33-51(45)59(52,8)9)60(38-21-25-43-41-14-10-12-16-47(41)57(4,5)49(43)31-38)39-22-26-44-42-15-11-13-17-48(42)58(6,7)50(44)32-39/h10-33H,1-9H3
InChIKeyLZDSTWTUJUKCDL-UHFFFAOYSA-N
XLogP16.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine with MolForge

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Related Compounds

17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162
2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]
CID 170533763
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
7-tert-butyl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-isocyanophenyl)pyrene-1,3-diamine
CID 123414347
2-(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)pyrimidine
CID 58402156
N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
CID 134432412
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
CID 159712751

Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine?
The IUPAC name of 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine (CID 58402179) is 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine.
What is the SMILES notation for 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine?
The canonical SMILES for 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine is CC(C)(C)c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C.
What is the InChIKey of 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine?
The InChIKey is LZDSTWTUJUKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-56(2,3)37-28-34-18-19-36-30-52-55(46-24-20-35(29-37)53(34)54(36)46)45-27-23-40(33-51(45)59(52,8)9)60(38-21-25-43-41-14-10-12-16-47(41)57(4,5)49(43)31-38)39-22-26-44-42-15-11-13-17-48(42)58(6,7)50(44)32-39/h10-33H,1-9H3.
What are the key properties of 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine?
17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine has a molecular weight of 774.06 g/mol, XLogP of 16.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine is sourced from PubChem (CID 58402179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).