24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine

C63H59BrN2 — CID 23650746

IUPAC24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine
SMILESCCC1(CC)c2cc(Br)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1
InChIInChI=1S/C63H59BrN2/c1-7-61(8-2)52-39-42(64)33-36-49(52)55-58(61)56-50-37-34-47(65(43-25-17-13-18-26-43)44-27-19-14-20-28-44)40-53(50)63(11-5,12-6)60(56)57-51-38-35-48(41-54(51)62(9-3,10-4)59(55)57)66(45-29-21-15-22-30-45)46-31-23-16-24-32-46/h13-41H,7-12H2,1-6H3
InChIKeyYTBXBEFWCDKGJE-UHFFFAOYSA-N
MW924.08 g/mol
LogP18.65
Rot. Bonds12

About 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine

24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine (PubChem CID 23650746) has the molecular formula C63H59BrN2 and a molecular weight of 924.08 g/mol. Its IUPAC name is 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine.

Molecular Properties

Compound Name24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine
PubChem CID23650746
Molecular FormulaC63H59BrN2
Molecular Weight924.08 g/mol
Exact Mass922.39
IUPAC Name24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine
SMILESCCC1(CC)c2cc(Br)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1
InChIInChI=1S/C63H59BrN2/c1-7-61(8-2)52-39-42(64)33-36-49(52)55-58(61)56-50-37-34-47(65(43-25-17-13-18-26-43)44-27-19-14-20-28-44)40-53(50)63(11-5,12-6)60(56)57-51-38-35-48(41-54(51)62(9-3,10-4)59(55)57)66(45-29-21-15-22-30-45)46-31-23-16-24-32-46/h13-41H,7-12H2,1-6H3
InChIKeyYTBXBEFWCDKGJE-UHFFFAOYSA-N
XLogP18.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.08
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine with MolForge

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Related Compounds

7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
9,9,18,18,27,27-hexaethyl-5-N,5-N,14-N,14-N,23-N,23-N-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14,23-triamine
CID 101441557
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
CID 102292425
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
7-[7-[7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348451

Frequently Asked Questions

What is the IUPAC name of 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine?
The IUPAC name of 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine (CID 23650746) is 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine.
What is the SMILES notation for 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine?
The canonical SMILES for 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine is CCC1(CC)c2cc(Br)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1.
What is the InChIKey of 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine?
The InChIKey is YTBXBEFWCDKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59BrN2/c1-7-61(8-2)52-39-42(64)33-36-49(52)55-58(61)56-50-37-34-47(65(43-25-17-13-18-26-43)44-27-19-14-20-28-44)40-53(50)63(11-5,12-6)60(56)57-51-38-35-48(41-54(51)62(9-3,10-4)59(55)57)66(45-29-21-15-22-30-45)46-31-23-16-24-32-46/h13-41H,7-12H2,1-6H3.
What are the key properties of 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine?
24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine has a molecular weight of 924.08 g/mol, XLogP of 18.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine is sourced from PubChem (CID 23650746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).