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

C75H69N3 — CID 101441557

IUPAC9,9,18,18,27,27-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
SMILESCCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)C(CC)(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-1
InChIInChI=1S/C75H69N3/c1-7-73(8-2)64-46-43-58(76(52-31-19-13-20-32-52)53-33-21-14-22-34-53)49-61(64)67-70(73)68-62-50-59(77(54-35-23-15-24-36-54)55-37-25-16-26-38-55)44-47-65(62)74(9-3,10-4)72(68)69-63-51-60(45-48-66(63)75(11-5,12-6)71(67)69)78(56-39-27-17-28-40-56)57-41-29-18-30-42-57/h13-51H,7-12H2,1-6H3
InChIKeyVEMNASUTQSALKO-UHFFFAOYSA-N
MW1012.40 g/mol
LogP21.36
Rot. Bonds15

About 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

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 (PubChem CID 101441557) has the molecular formula C75H69N3 and a molecular weight of 1012.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9,18,18,27,27-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
PubChem CID101441557
Molecular FormulaC75H69N3
Molecular Weight1012.40 g/mol
Exact Mass1011.55
IUPAC Name9,9,18,18,27,27-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
SMILESCCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)C(CC)(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-1
InChIInChI=1S/C75H69N3/c1-7-73(8-2)64-46-43-58(76(52-31-19-13-20-32-52)53-33-21-14-22-34-53)49-61(64)67-70(73)68-62-50-59(77(54-35-23-15-24-36-54)55-37-25-16-26-38-55)44-47-65(62)74(9-3,10-4)72(68)69-63-51-60(45-48-66(63)75(11-5,12-6)71(67)69)78(56-39-27-17-28-40-56)57-41-29-18-30-42-57/h13-51H,7-12H2,1-6H3
InChIKeyVEMNASUTQSALKO-UHFFFAOYSA-N
XLogP21.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.40
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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CID 23650746
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
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
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
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-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
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
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)C(CC)(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-1.
What is the InChIKey of 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?
The InChIKey is VEMNASUTQSALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H69N3/c1-7-73(8-2)64-46-43-58(76(52-31-19-13-20-32-52)53-33-21-14-22-34-53)49-61(64)67-70(73)68-62-50-59(77(54-35-23-15-24-36-54)55-37-25-16-26-38-55)44-47-65(62)74(9-3,10-4)72(68)69-63-51-60(45-48-66(63)75(11-5,12-6)71(67)69)78(56-39-27-17-28-40-56)57-41-29-18-30-42-57/h13-51H,7-12H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1012.40 g/mol, XLogP of 21.36, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101441557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).