8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene

C71H42NO4P — CID 134317620

IUPAC8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene
SMILESCc1cc2c3c(c1)Oc1c(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c5c1P3c1c(ccc(-c3ccc6oc7cc8ccccc8cc7c6c3)c1O2)N5c1ccc(C)cc1C4(c1ccccc1)c1ccccc1
InChIInChI=1S/C71H42NO4P/c1-39-21-25-57-55(29-39)71(47-17-5-3-6-18-47,48-19-7-4-8-20-48)56-38-50(46-23-28-60-52(35-46)54-33-42-14-10-12-16-44(42)37-62(54)74-60)67-70-65(56)72(57)58-26-24-49(66-68(58)77(70)69-63(75-66)30-40(2)31-64(69)76-67)45-22-27-59-51(34-45)53-32-41-13-9-11-15-43(41)36-61(53)73-59/h3-38H,1-2H3
InChIKeyOAKOWDYKMASHCE-UHFFFAOYSA-N
MW1004.09 g/mol
LogP18.19
Rot. Bonds4

About 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene

8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene (PubChem CID 134317620) has the molecular formula C71H42NO4P and a molecular weight of 1004.09 g/mol. Its IUPAC name is 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene.

Molecular Properties

Compound Name8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene
PubChem CID134317620
Molecular FormulaC71H42NO4P
Molecular Weight1004.09 g/mol
Exact Mass1003.29
IUPAC Name8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene
SMILESCc1cc2c3c(c1)Oc1c(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c5c1P3c1c(ccc(-c3ccc6oc7cc8ccccc8cc7c6c3)c1O2)N5c1ccc(C)cc1C4(c1ccccc1)c1ccccc1
InChIInChI=1S/C71H42NO4P/c1-39-21-25-57-55(29-39)71(47-17-5-3-6-18-47,48-19-7-4-8-20-48)56-38-50(46-23-28-60-52(35-46)54-33-42-14-10-12-16-44(42)37-62(54)74-60)67-70-65(56)72(57)58-26-24-49(66-68(58)77(70)69-63(75-66)30-40(2)31-64(69)76-67)45-22-27-59-51(34-45)53-32-41-13-9-11-15-43(41)36-61(53)73-59/h3-38H,1-2H3
InChIKeyOAKOWDYKMASHCE-UHFFFAOYSA-N
XLogP18.19
TPSA47.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.09
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene with MolForge

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Related Compounds

11-methyl-22-(4-methylphenyl)-6,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-1-sulfanyl-8,14-dioxa-22-aza-1-phosphoniahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163643008
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 144879437
4,15,18,18,27,27,33,33,42,42,45-undecamethyl-24-N,24-N-bis(4-methylphenyl)-36-N,36-N-diphenyl-30-oxa-1,11-diaza-8-phosphatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
CID 134317538
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)dibenzofuran-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167549806
2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene
CID 158112423
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene
CID 155382417
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
17-methyl-5,11-bis(naphtho[2,3-b][1]benzofuran-2-yl)-1,14,22-triphenyl-8-oxa-14,22-diaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 140848883

Frequently Asked Questions

What is the IUPAC name of 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene?
The IUPAC name of 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene (CID 134317620) is 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene.
What is the SMILES notation for 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene?
The canonical SMILES for 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene is Cc1cc2c3c(c1)Oc1c(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c5c1P3c1c(ccc(-c3ccc6oc7cc8ccccc8cc7c6c3)c1O2)N5c1ccc(C)cc1C4(c1ccccc1)c1ccccc1.
What is the InChIKey of 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene?
The InChIKey is OAKOWDYKMASHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42NO4P/c1-39-21-25-57-55(29-39)71(47-17-5-3-6-18-47,48-19-7-4-8-20-48)56-38-50(46-23-28-60-52(35-46)54-33-42-14-10-12-16-44(42)37-62(54)74-60)67-70-65(56)72(57)58-26-24-49(66-68(58)77(70)69-63(75-66)30-40(2)31-64(69)76-67)45-22-27-59-51(34-45)53-32-41-13-9-11-15-43(41)36-61(53)73-59/h3-38H,1-2H3.
What are the key properties of 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene?
8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene has a molecular weight of 1004.09 g/mol, XLogP of 18.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,19-dimethyl-14,24-bis(naphtho[2,3-b][1]benzofuran-2-yl)-11,11-diphenyl-16,22-dioxa-4-aza-1-phosphaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17,19,21(29),23,25,27-dodecaene is sourced from PubChem (CID 134317620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).