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

C106H100N4O2 — CID 156529557

IUPAC7-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
SMILESCC(C)(C)c1cccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5cc7cc8c(cc7cc56)oc5cc(N(c6ccccc6)c6ccc7c9ccc(-c%10cccc(C(C)(C)C)c%10)cc9n(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c7c6)ccc58)cc4n(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3c2)c1
InChIInChI=1S/C106H100N4O2/c1-101(2,3)71-29-25-27-65(47-71)67-35-41-85-87-43-37-79(61-95(87)109(93(85)51-67)83-57-73(103(7,8)9)55-74(58-83)104(10,11)12)107(77-31-21-19-22-32-77)81-39-45-89-91-49-69-54-98-92(50-70(69)53-97(91)111-99(89)63-81)90-46-40-82(64-100(90)112-98)108(78-33-23-20-24-34-78)80-38-44-88-86-42-36-68(66-28-26-30-72(48-66)102(4,5)6)52-94(86)110(96(88)62-80)84-59-75(105(13,14)15)56-76(60-84)106(16,17)18/h19-64H,1-18H3
InChIKeyINOYNEXEIPOYIL-UHFFFAOYSA-N
MW1461.99 g/mol
LogP30.89
Rot. Bonds10

About 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

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 (PubChem CID 156529557) has the molecular formula C106H100N4O2 and a molecular weight of 1461.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID156529557
Molecular FormulaC106H100N4O2
Molecular Weight1461.99 g/mol
Exact Mass1460.78
IUPAC Name7-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
SMILESCC(C)(C)c1cccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5cc7cc8c(cc7cc56)oc5cc(N(c6ccccc6)c6ccc7c9ccc(-c%10cccc(C(C)(C)C)c%10)cc9n(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c7c6)ccc58)cc4n(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3c2)c1
InChIInChI=1S/C106H100N4O2/c1-101(2,3)71-29-25-27-65(47-71)67-35-41-85-87-43-37-79(61-95(87)109(93(85)51-67)83-57-73(103(7,8)9)55-74(58-83)104(10,11)12)107(77-31-21-19-22-32-77)81-39-45-89-91-49-69-54-98-92(50-70(69)53-97(91)111-99(89)63-81)90-46-40-82(64-100(90)112-98)108(78-33-23-20-24-34-78)80-38-44-88-86-42-36-68(66-28-26-30-72(48-66)102(4,5)6)52-94(86)110(96(88)62-80)84-59-75(105(13,14)15)56-76(60-84)106(16,17)18/h19-64H,1-18H3
InChIKeyINOYNEXEIPOYIL-UHFFFAOYSA-N
XLogP30.89
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.99
LogP ≤ 530.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
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
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,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
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-(3-tert-butylphenyl)-8-[4-(4-tert-butyl-N-(3-phenylphenyl)anilino)-2-methylphenyl]-9-methyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 174335023
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(carbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6-N,6-N,22-N,22-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
CID 159039634
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
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5cc7cc8c(cc7cc56)oc5cc(N(c6ccccc6)c6ccc7c9ccc(-c%10cccc(C(C)(C)C)c%10)cc9n(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c7c6)ccc58)cc4n(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is INOYNEXEIPOYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H100N4O2/c1-101(2,3)71-29-25-27-65(47-71)67-35-41-85-87-43-37-79(61-95(87)109(93(85)51-67)83-57-73(103(7,8)9)55-74(58-83)104(10,11)12)107(77-31-21-19-22-32-77)81-39-45-89-91-49-69-54-98-92(50-70(69)53-97(91)111-99(89)63-81)90-46-40-82(64-100(90)112-98)108(78-33-23-20-24-34-78)80-38-44-88-86-42-36-68(66-28-26-30-72(48-66)102(4,5)6)52-94(86)110(96(88)62-80)84-59-75(105(13,14)15)56-76(60-84)106(16,17)18/h19-64H,1-18H3.
What are the key properties of 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?
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 has a molecular weight of 1461.99 g/mol, XLogP of 30.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).