10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene

C55H47N — CID 126598837

IUPAC10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)C4(c7ccccc7-c7ccccc74)c4ccccc4-6)c3cc21)C(C)(C)C(C)(C)C5(C)C
InChIInChI=1S/C55H47N/c1-51(2)41-21-13-9-20-36(41)38-28-39-40-29-47-48(53(5,6)54(7,8)52(47,3)4)31-50(40)56(49(39)30-45(38)51)32-25-26-37-35-19-12-16-24-44(35)55(46(37)27-32)42-22-14-10-17-33(42)34-18-11-15-23-43(34)55/h9-31H,1-8H3
InChIKeyLZKKRTXNXJILEW-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.03
Rot. Bonds1

About 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene

10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene (PubChem CID 126598837) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene.

Molecular Properties

Compound Name10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
PubChem CID126598837
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)C4(c7ccccc7-c7ccccc74)c4ccccc4-6)c3cc21)C(C)(C)C(C)(C)C5(C)C
InChIInChI=1S/C55H47N/c1-51(2)41-21-13-9-20-36(41)38-28-39-40-29-47-48(53(5,6)54(7,8)52(47,3)4)31-50(40)56(49(39)30-45(38)51)32-25-26-37-35-19-12-16-24-44(35)55(46(37)27-32)42-22-14-10-17-33(42)34-18-11-15-23-43(34)55/h9-31H,1-8H3
InChIKeyLZKKRTXNXJILEW-UHFFFAOYSA-N
XLogP14.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene with MolForge

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Related Compounds

14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
CID 134551753
CID 134551753
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
CID 134551673
CID 134551673
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613

Frequently Asked Questions

What is the IUPAC name of 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene?
The IUPAC name of 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene (CID 126598837) is 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene.
What is the SMILES notation for 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene?
The canonical SMILES for 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6c(c4)C4(c7ccccc7-c7ccccc74)c4ccccc4-6)c3cc21)C(C)(C)C(C)(C)C5(C)C.
What is the InChIKey of 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene?
The InChIKey is LZKKRTXNXJILEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-51(2)41-21-13-9-20-36(41)38-28-39-40-29-47-48(53(5,6)54(7,8)52(47,3)4)31-50(40)56(49(39)30-45(38)51)32-25-26-37-35-19-12-16-24-44(35)55(46(37)27-32)42-22-14-10-17-33(42)34-18-11-15-23-43(34)55/h9-31H,1-8H3.
What are the key properties of 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene?
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene has a molecular weight of 721.99 g/mol, XLogP of 14.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene is sourced from PubChem (CID 126598837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).