14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine

C86H69N3 — CID 88555565

IUPAC14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc5c(N(c5ccccc5)c5ccc7c(c5)C(C)(C)c5ccccc5-7)c4c3)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C86H69N3/c1-83(2)73-36-22-18-32-61(73)65-44-40-58(49-77(65)83)87(54-26-12-9-13-27-54)57-43-47-68-70(48-57)82(89(56-30-16-11-17-31-56)60-42-46-67-63-34-20-24-38-75(63)85(5,6)79(67)51-60)71-52-69-64-35-21-25-39-76(64)86(7,8)80(69)53-72(71)81(68)88(55-28-14-10-15-29-55)59-41-45-66-62-33-19-23-37-74(62)84(3,4)78(66)50-59/h9-53H,1-8H3
InChIKeyFLIJFBICAWWCHS-UHFFFAOYSA-N
MW1144.52 g/mol
LogP23.63
Rot. Bonds9

About 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine

14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine (PubChem CID 88555565) has the molecular formula C86H69N3 and a molecular weight of 1144.52 g/mol. Its IUPAC name is 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine.

Molecular Properties

Compound Name14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
PubChem CID88555565
Molecular FormulaC86H69N3
Molecular Weight1144.52 g/mol
Exact Mass1143.55
IUPAC Name14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc5c(N(c5ccccc5)c5ccc7c(c5)C(C)(C)c5ccccc5-7)c4c3)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C86H69N3/c1-83(2)73-36-22-18-32-61(73)65-44-40-58(49-77(65)83)87(54-26-12-9-13-27-54)57-43-47-68-70(48-57)82(89(56-30-16-11-17-31-56)60-42-46-67-63-34-20-24-38-75(63)85(5,6)79(67)51-60)71-52-69-64-35-21-25-39-76(64)86(7,8)80(69)53-72(71)81(68)88(55-28-14-10-15-29-55)59-41-45-66-62-33-19-23-37-74(62)84(3,4)78(66)50-59/h9-53H,1-8H3
InChIKeyFLIJFBICAWWCHS-UHFFFAOYSA-N
XLogP23.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.52
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine with MolForge

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Related Compounds

7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555720
10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-bis(9,9'-spirobi[fluorene]-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555492
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
CID 88951419
7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555757
10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555573
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555768
9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869115
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?
The IUPAC name of 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine (CID 88555565) is 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine.
What is the SMILES notation for 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?
The canonical SMILES for 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6c(cc5c(N(c5ccccc5)c5ccc7c(c5)C(C)(C)c5ccccc5-7)c4c3)-c3ccccc3C6(C)C)cc21.
What is the InChIKey of 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?
The InChIKey is FLIJFBICAWWCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H69N3/c1-83(2)73-36-22-18-32-61(73)65-44-40-58(49-77(65)83)87(54-26-12-9-13-27-54)57-43-47-68-70(48-57)82(89(56-30-16-11-17-31-56)60-42-46-67-63-34-20-24-38-75(63)85(5,6)79(67)51-60)71-52-69-64-35-21-25-39-76(64)86(7,8)80(69)53-72(71)81(68)88(55-28-14-10-15-29-55)59-41-45-66-62-33-19-23-37-74(62)84(3,4)78(66)50-59/h9-53H,1-8H3.
What are the key properties of 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?
14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine has a molecular weight of 1144.52 g/mol, XLogP of 23.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine is sourced from PubChem (CID 88555565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).