16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene

C102H55N3O2 — CID 146370031

IUPAC16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5ccc5c6c6cccc7c8cc(-c9ccc%10oc%11ccc(-c%12ccc%13c(c%12)oc%12c(-c%14ccc%15c(c%14)c%14cccc%16c%17c%18ccccc%18ccc%17n%15c%14%16)cccc%12%13)cc%11c%10c9)ccc8n5c76)cc5c6c7ccccc7ccc6n4c35)cc2)cc1
InChIInChI=1S/C102H55N3O2/c1-2-12-56(13-3-1)57-26-28-58(29-27-57)61-33-40-89-82(48-61)85-53-67(54-86-97-70-17-7-5-15-60(70)32-44-91(97)105(89)101(85)86)68-18-8-20-74-72(68)39-45-92-98(74)79-25-11-21-75-80-49-62(34-41-87(80)104(92)100(75)79)63-36-46-93-83(50-63)84-51-64(37-47-94(84)106-93)65-30-38-73-77-23-9-19-71(102(77)107-95(73)55-65)66-35-42-88-81(52-66)76-22-10-24-78-96-69-16-6-4-14-59(69)31-43-90(96)103(88)99(76)78/h1-55H
InChIKeyWCARQLQVKOPZPC-UHFFFAOYSA-N
MW1354.58 g/mol
LogP28.40
Rot. Bonds6

About 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene

16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene (PubChem CID 146370031) has the molecular formula C102H55N3O2 and a molecular weight of 1354.58 g/mol. Its IUPAC name is 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene.

Molecular Properties

Compound Name16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene
PubChem CID146370031
Molecular FormulaC102H55N3O2
Molecular Weight1354.58 g/mol
Exact Mass1353.43
IUPAC Name16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5ccc5c6c6cccc7c8cc(-c9ccc%10oc%11ccc(-c%12ccc%13c(c%12)oc%12c(-c%14ccc%15c(c%14)c%14cccc%16c%17c%18ccccc%18ccc%17n%15c%14%16)cccc%12%13)cc%11c%10c9)ccc8n5c76)cc5c6c7ccccc7ccc6n4c35)cc2)cc1
InChIInChI=1S/C102H55N3O2/c1-2-12-56(13-3-1)57-26-28-58(29-27-57)61-33-40-89-82(48-61)85-53-67(54-86-97-70-17-7-5-15-60(70)32-44-91(97)105(89)101(85)86)68-18-8-20-74-72(68)39-45-92-98(74)79-25-11-21-75-80-49-62(34-41-87(80)104(92)100(75)79)63-36-46-93-83(50-63)84-51-64(37-47-94(84)106-93)65-30-38-73-77-23-9-19-71(102(77)107-95(73)55-65)66-35-42-88-81(52-66)76-22-10-24-78-96-69-16-6-4-14-59(69)31-43-90(96)103(88)99(76)78/h1-55H
InChIKeyWCARQLQVKOPZPC-UHFFFAOYSA-N
XLogP28.40
TPSA39.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.58
LogP ≤ 528.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene 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

N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 160891251
16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
CID 148871817
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran
CID 158442186
3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 163485111
31-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.09,14.028,42.029,41.030,38.032,37.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16,18,20(43),21,24(42),25,27,29(41),30(38),32,34,36,39-icosaene
CID 162480140
3-dibenzofuran-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158822227
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 155221608
9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 161064715
10-[4,6-di(dibenzofuran-3-yl)-2-pyridinyl]-5-(4,6-diphenylpyrimidin-2-yl)-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13(23),14,16,18,20-undecaene
CID 164839346
1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 157292587
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842

Frequently Asked Questions

What is the IUPAC name of 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene?
The IUPAC name of 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene (CID 146370031) is 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene.
What is the SMILES notation for 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene?
The canonical SMILES for 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5ccc5c6c6cccc7c8cc(-c9ccc%10oc%11ccc(-c%12ccc%13c(c%12)oc%12c(-c%14ccc%15c(c%14)c%14cccc%16c%17c%18ccccc%18ccc%17n%15c%14%16)cccc%12%13)cc%11c%10c9)ccc8n5c76)cc5c6c7ccccc7ccc6n4c35)cc2)cc1.
What is the InChIKey of 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene?
The InChIKey is WCARQLQVKOPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H55N3O2/c1-2-12-56(13-3-1)57-26-28-58(29-27-57)61-33-40-89-82(48-61)85-53-67(54-86-97-70-17-7-5-15-60(70)32-44-91(97)105(89)101(85)86)68-18-8-20-74-72(68)39-45-92-98(74)79-25-11-21-75-80-49-62(34-41-87(80)104(92)100(75)79)63-36-46-93-83(50-63)84-51-64(37-47-94(84)106-93)65-30-38-73-77-23-9-19-71(102(77)107-95(73)55-65)66-35-42-88-81(52-66)76-22-10-24-78-96-69-16-6-4-14-59(69)31-43-90(96)103(88)99(76)78/h1-55H.
What are the key properties of 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene?
16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene has a molecular weight of 1354.58 g/mol, XLogP of 28.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[8-[6-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)dibenzofuran-3-yl]dibenzofuran-2-yl]-7-[16-(4-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-21-yl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13(18),14,16,19(23),20-undecaene is sourced from PubChem (CID 146370031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).