5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

C102H86N4 — CID 89065475

IUPAC5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3cc4c5c(c3)C(C)(C)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)cc6c3N5c3c(cc(N(c5ccc7c(c5)C(C)(C)c5ccccc5-7)c5ccc7ccccc7c5)cc3C6(C)C)C4(C)C)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C102H86N4/c1-97(2)82-34-22-19-31-76(82)79-46-43-70(52-85(79)97)103(67-40-37-61-25-13-16-28-64(61)49-67)73-55-88-94-89(56-73)101(9,10)91-58-75(105(69-42-39-63-27-15-18-30-66(63)51-69)72-45-48-81-78-33-21-24-36-84(78)99(5,6)87(81)54-72)60-93-96(91)106(94)95-90(100(88,7)8)57-74(59-92(95)102(93,11)12)104(68-41-38-62-26-14-17-29-65(62)50-68)71-44-47-80-77-32-20-23-35-83(77)98(3,4)86(80)53-71/h13-20,22-32,34-60H,21,33H2,1-12H3
InChIKeyLJPUIYKFYVPBKG-UHFFFAOYSA-N
MW1367.84 g/mol
LogP27.95
Rot. Bonds9

About 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (PubChem CID 89065475) has the molecular formula C102H86N4 and a molecular weight of 1367.84 g/mol. Its IUPAC name is 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

Molecular Properties

Compound Name5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
PubChem CID89065475
Molecular FormulaC102H86N4
Molecular Weight1367.84 g/mol
Exact Mass1366.69
IUPAC Name5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3cc4c5c(c3)C(C)(C)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)cc6c3N5c3c(cc(N(c5ccc7c(c5)C(C)(C)c5ccccc5-7)c5ccc7ccccc7c5)cc3C6(C)C)C4(C)C)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C102H86N4/c1-97(2)82-34-22-19-31-76(82)79-46-43-70(52-85(79)97)103(67-40-37-61-25-13-16-28-64(61)49-67)73-55-88-94-89(56-73)101(9,10)91-58-75(105(69-42-39-63-27-15-18-30-66(63)51-69)72-45-48-81-78-33-21-24-36-84(78)99(5,6)87(81)54-72)60-93-96(91)106(94)95-90(100(88,7)8)57-74(59-92(95)102(93,11)12)104(68-41-38-62-26-14-17-29-65(62)50-68)71-44-47-80-77-32-20-23-35-83(77)98(3,4)86(80)53-71/h13-20,22-32,34-60H,21,33H2,1-12H3
InChIKeyLJPUIYKFYVPBKG-UHFFFAOYSA-N
XLogP27.95
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.84
LogP ≤ 527.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine with MolForge

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Related Compounds

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CID 88948493
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
CID 70885876
N-cyclohexa-1,3-dien-1-yl-N-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 70885735
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89074314
7'-[(E)-2-[7-(dinaphthalen-2-ylamino)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl]ethenyl]-N,N-dinaphthalen-2-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 89335584
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The IUPAC name of 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (CID 89065475) is 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.
What is the SMILES notation for 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The canonical SMILES for 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is CC1(C)C2=C(CCC=C2)c2ccc(N(c3cc4c5c(c3)C(C)(C)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)cc6c3N5c3c(cc(N(c5ccc7c(c5)C(C)(C)c5ccccc5-7)c5ccc7ccccc7c5)cc3C6(C)C)C4(C)C)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The InChIKey is LJPUIYKFYVPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H86N4/c1-97(2)82-34-22-19-31-76(82)79-46-43-70(52-85(79)97)103(67-40-37-61-25-13-16-28-64(61)49-67)73-55-88-94-89(56-73)101(9,10)91-58-75(105(69-42-39-63-27-15-18-30-66(63)51-69)72-45-48-81-78-33-21-24-36-84(78)99(5,6)87(81)54-72)60-93-96(91)106(94)95-90(100(88,7)8)57-74(59-92(95)102(93,11)12)104(68-41-38-62-26-14-17-29-65(62)50-68)71-44-47-80-77-32-20-23-35-83(77)98(3,4)86(80)53-71/h13-20,22-32,34-60H,21,33H2,1-12H3.
What are the key properties of 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine has a molecular weight of 1367.84 g/mol, XLogP of 27.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is sourced from PubChem (CID 89065475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).