6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C88H80N4O2 — CID 156529399

IUPAC6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccccc8)c8ccc9c%10cc(C)ccc%10n(-c%10cc(C(C)(C)C)cc(C(C)(C)C)c%10)c9c8)ccc7c65)c34)cc1n2-c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C88H80N4O2/c1-53-25-37-75-73(41-53)67-31-27-61(49-77(67)91(75)65-45-55(85(3,4)5)43-56(46-65)86(6,7)8)89(59-21-17-15-18-22-59)63-29-33-71-81(51-63)93-79-39-35-70-69(83(71)79)36-40-80-84(70)72-34-30-64(52-82(72)94-80)90(60-23-19-16-20-24-60)62-28-32-68-74-42-54(2)26-38-76(74)92(78(68)50-62)66-47-57(87(9,10)11)44-58(48-66)88(12,13)14/h15-52H,1-14H3
InChIKeyUSJBQBUSRLXFIM-UHFFFAOYSA-N
MW1225.63 g/mol
LogP25.58
Rot. Bonds8

About 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 156529399) has the molecular formula C88H80N4O2 and a molecular weight of 1225.63 g/mol. Its IUPAC name is 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID156529399
Molecular FormulaC88H80N4O2
Molecular Weight1225.63 g/mol
Exact Mass1224.63
IUPAC Name6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccccc8)c8ccc9c%10cc(C)ccc%10n(-c%10cc(C(C)(C)C)cc(C(C)(C)C)c%10)c9c8)ccc7c65)c34)cc1n2-c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C88H80N4O2/c1-53-25-37-75-73(41-53)67-31-27-61(49-77(67)91(75)65-45-55(85(3,4)5)43-56(46-65)86(6,7)8)89(59-21-17-15-18-22-59)63-29-33-71-81(51-63)93-79-39-35-70-69(83(71)79)36-40-80-84(70)72-34-30-64(52-82(72)94-80)90(60-23-19-16-20-24-60)62-28-32-68-74-42-54(2)26-38-76(74)92(78(68)50-62)66-47-57(87(9,10)11)44-58(48-66)88(12,13)14/h15-52H,1-14H3
InChIKeyUSJBQBUSRLXFIM-UHFFFAOYSA-N
XLogP25.58
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.63
LogP ≤ 525.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

7-N,19-N-bis[7-(3-tert-butylphenyl)-9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529557
6-N,18-N-bis[9-[3,5-di(propan-2-yl)phenyl]carbazol-3-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 156529794
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 156529786
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 158854715
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine
CID 118122343
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
3-N,8-N-bis(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)-3-N,8-N-diphenylbenzo[b]carbazole-3,8-diamine
CID 139573418
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529558
9-(3,5-ditert-butylphenyl)-N,N-di(phenanthren-2-yl)carbazol-3-amine
CID 162452335

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 156529399) is 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is Cc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccccc8)c8ccc9c%10cc(C)ccc%10n(-c%10cc(C(C)(C)C)cc(C(C)(C)C)c%10)c9c8)ccc7c65)c34)cc1n2-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is USJBQBUSRLXFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H80N4O2/c1-53-25-37-75-73(41-53)67-31-27-61(49-77(67)91(75)65-45-55(85(3,4)5)43-56(46-65)86(6,7)8)89(59-21-17-15-18-22-59)63-29-33-71-81(51-63)93-79-39-35-70-69(83(71)79)36-40-80-84(70)72-34-30-64(52-82(72)94-80)90(60-23-19-16-20-24-60)62-28-32-68-74-42-54(2)26-38-76(74)92(78(68)50-62)66-47-57(87(9,10)11)44-58(48-66)88(12,13)14/h15-52H,1-14H3.
What are the key properties of 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 1225.63 g/mol, XLogP of 25.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 156529399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).