25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene

C68H46N4O — CID 134428556

IUPAC25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4cc5c(cc4c4cccnc4c3cc21)n(-c1ccccc1)c1ccccc1n5-c1ccccc1
InChIInChI=1S/C68H46N4O/c1-68(2)57-30-13-14-31-59(57)70(44-20-6-3-7-21-44)62-40-55-52-38-43(47-27-18-28-51-49-26-12-17-34-65(49)73-67(47)51)35-36-48(52)53-41-63-64(42-54(53)50-29-19-37-69-66(50)56(55)39-58(62)68)72(46-24-10-5-11-25-46)61-33-16-15-32-60(61)71(63)45-22-8-4-9-23-45/h3-42H,1-2H3/b53-48-,54-50-,55-52-,66-56+
InChIKeyLWARCAOMQXETMK-XCCBFVNWSA-N
MW935.14 g/mol
LogP18.38
Rot. Bonds4

About 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene

25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene (PubChem CID 134428556) has the molecular formula C68H46N4O and a molecular weight of 935.14 g/mol. Its IUPAC name is 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene.

Molecular Properties

Compound Name25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
PubChem CID134428556
Molecular FormulaC68H46N4O
Molecular Weight935.14 g/mol
Exact Mass934.37
IUPAC Name25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4cc5c(cc4c4cccnc4c3cc21)n(-c1ccccc1)c1ccccc1n5-c1ccccc1
InChIInChI=1S/C68H46N4O/c1-68(2)57-30-13-14-31-59(57)70(44-20-6-3-7-21-44)62-40-55-52-38-43(47-27-18-28-51-49-26-12-17-34-65(49)73-67(47)51)35-36-48(52)53-41-63-64(42-54(53)50-29-19-37-69-66(50)56(55)39-58(62)68)72(46-24-10-5-11-25-46)61-33-16-15-32-60(61)71(63)45-22-8-4-9-23-45/h3-42H,1-2H3/b53-48-,54-50-,55-52-,66-56+
InChIKeyLWARCAOMQXETMK-XCCBFVNWSA-N
XLogP18.38
TPSA39.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene with MolForge

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Related Compounds

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CID 134428489
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
3-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037140
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 159018235
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-(4-dibenzofuran-4-ylphenyl)-6,6,7,7,8,8,12,12,16,16,17,17,18,18-tetradecamethyl-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene
CID 126598367
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
CID 121444171
2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342631

Frequently Asked Questions

What is the IUPAC name of 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene?
The IUPAC name of 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene (CID 134428556) is 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene.
What is the SMILES notation for 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene?
The canonical SMILES for 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4cc5c(cc4c4cccnc4c3cc21)n(-c1ccccc1)c1ccccc1n5-c1ccccc1.
What is the InChIKey of 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene?
The InChIKey is LWARCAOMQXETMK-XCCBFVNWSA-N. The full InChI is InChI=1S/C68H46N4O/c1-68(2)57-30-13-14-31-59(57)70(44-20-6-3-7-21-44)62-40-55-52-38-43(47-27-18-28-51-49-26-12-17-34-65(49)73-67(47)51)35-36-48(52)53-41-63-64(42-54(53)50-29-19-37-69-66(50)56(55)39-58(62)68)72(46-24-10-5-11-25-46)61-33-16-15-32-60(61)71(63)45-22-8-4-9-23-45/h3-42H,1-2H3/b53-48-,54-50-,55-52-,66-56+.
What are the key properties of 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene?
25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene has a molecular weight of 935.14 g/mol, XLogP of 18.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-dibenzofuran-4-yl-38,38-dimethyl-11,18,31-triphenyl-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene is sourced from PubChem (CID 134428556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).