bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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

C66H56N4O2 — CID 157060466

IUPACbis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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
SMILESCN(C)c1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(N(C)C)ccc14.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H22N2O2.2C20H17N/c1-27(2)17-5-7-19-21-9-15-12-24-22(10-16(15)11-23(21)29-25(19)13-17)20-8-6-18(28(3)4)14-26(20)30-24;2*1-14-11-15(2)13-16(12-14)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h5-14H,1-4H3;2*3-13H,1-2H3
InChIKeyABGTZEJOFGAKPI-UHFFFAOYSA-N
MW937.20 g/mol
LogP17.57
Rot. Bonds4

About bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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

bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 (PubChem CID 157060466) has the molecular formula C66H56N4O2 and a molecular weight of 937.20 g/mol. Its IUPAC name is bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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.

Molecular Properties

Compound Namebis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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
PubChem CID157060466
Molecular FormulaC66H56N4O2
Molecular Weight937.20 g/mol
Exact Mass936.44
IUPAC Namebis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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
SMILESCN(C)c1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(N(C)C)ccc14.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H22N2O2.2C20H17N/c1-27(2)17-5-7-19-21-9-15-12-24-22(10-16(15)11-23(21)29-25(19)13-17)20-8-6-18(28(3)4)14-26(20)30-24;2*1-14-11-15(2)13-16(12-14)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h5-14H,1-4H3;2*3-13H,1-2H3
InChIKeyABGTZEJOFGAKPI-UHFFFAOYSA-N
XLogP17.57
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.20
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 with MolForge

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 165003714
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163903640
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
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-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(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359579
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
7-N,19-N-di(dibenzofuran-2-yl)-19-N-[7-[4-[3-(N-[4-(10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-yl)phenyl]anilino)carbazol-9-yl]phenyl]-9-phenylcarbazol-2-yl]-7-N-(9-phenylcarbazol-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 166829778
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
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
CID 138717147
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
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475

Frequently Asked Questions

What is the IUPAC name of bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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?
The IUPAC name of bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 157060466) is bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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.
What is the SMILES notation for bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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?
The canonical SMILES for bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 is CN(C)c1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(N(C)C)ccc14.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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?
The InChIKey is ABGTZEJOFGAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2.2C20H17N/c1-27(2)17-5-7-19-21-9-15-12-24-22(10-16(15)11-23(21)29-25(19)13-17)20-8-6-18(28(3)4)14-26(20)30-24;2*1-14-11-15(2)13-16(12-14)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h5-14H,1-4H3;2*3-13H,1-2H3.
What are the key properties of bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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?
bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 has a molecular weight of 937.20 g/mol, XLogP of 17.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-(3,5-dimethylphenyl)carbazole);7-N,7-N,19-N,19-N-tetramethyl-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 is sourced from PubChem (CID 157060466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).