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

C82H68N4O2 — CID 156529794

IUPAC6-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
SMILESCC(C)c1cc(C(C)C)cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccc6c(ccc7oc8cc(N(c9ccccc9)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(C)C)cc(C(C)C)c9)ccc8c76)c45)ccc32)c1
InChIInChI=1S/C82H68N4O2/c1-49(2)53-39-54(50(3)4)42-63(41-53)85-73-25-17-15-23-65(73)71-45-59(29-35-75(71)85)83(57-19-11-9-12-20-57)61-27-31-69-79(47-61)87-77-37-33-68-67(81(69)77)34-38-78-82(68)70-32-28-62(48-80(70)88-78)84(58-21-13-10-14-22-58)60-30-36-76-72(46-60)66-24-16-18-26-74(66)86(76)64-43-55(51(5)6)40-56(44-64)52(7)8/h9-52H,1-8H3
InChIKeyOPFIXCMVERVEBP-UHFFFAOYSA-N
MW1141.47 g/mol
LogP24.27
Rot. Bonds12

About 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

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 (PubChem CID 156529794) has the molecular formula C82H68N4O2 and a molecular weight of 1141.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID156529794
Molecular FormulaC82H68N4O2
Molecular Weight1141.47 g/mol
Exact Mass1140.53
IUPAC Name6-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
SMILESCC(C)c1cc(C(C)C)cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccc6c(ccc7oc8cc(N(c9ccccc9)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(C)C)cc(C(C)C)c9)ccc8c76)c45)ccc32)c1
InChIInChI=1S/C82H68N4O2/c1-49(2)53-39-54(50(3)4)42-63(41-53)85-73-25-17-15-23-65(73)71-45-59(29-35-75(71)85)83(57-19-11-9-12-20-57)61-27-31-69-79(47-61)87-77-37-33-68-67(81(69)77)34-38-78-82(68)70-32-28-62(48-80(70)88-78)84(58-21-13-10-14-22-58)60-30-36-76-72(46-60)66-24-16-18-26-74(66)86(76)64-43-55(51(5)6)40-56(44-64)52(7)8/h9-52H,1-8H3
InChIKeyOPFIXCMVERVEBP-UHFFFAOYSA-N
XLogP24.27
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.47
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 158694655
11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360847
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
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
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
CID 162473597
9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359528
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine
CID 166829781

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccc6c(ccc7oc8cc(N(c9ccccc9)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(C)C)cc(C(C)C)c9)ccc8c76)c45)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is OPFIXCMVERVEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H68N4O2/c1-49(2)53-39-54(50(3)4)42-63(41-53)85-73-25-17-15-23-65(73)71-45-59(29-35-75(71)85)83(57-19-11-9-12-20-57)61-27-31-69-79(47-61)87-77-37-33-68-67(81(69)77)34-38-78-82(68)70-32-28-62(48-80(70)88-78)84(58-21-13-10-14-22-58)60-30-36-76-72(46-60)66-24-16-18-26-74(66)86(76)64-43-55(51(5)6)40-56(44-64)52(7)8/h9-52H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1141.47 g/mol, XLogP of 24.27, 12 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-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 is sourced from PubChem (CID 156529794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).