11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C57H41N3O — CID 89472169

IUPAC11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccc5)c4cc21)c1ccccc1n3C1=CC2c3ccccc3N(C3=CC=C4c5ccccc5OC4C3)C2C=C1
InChIInChI=1S/C57H41N3O/c1-57(2)47-32-53-45(38-17-7-10-20-49(38)58(53)34-14-4-3-5-15-34)30-42(47)43-31-46-39-18-8-12-22-51(39)60(54(46)33-48(43)57)35-25-27-52-44(28-35)37-16-6-11-21-50(37)59(52)36-24-26-41-40-19-9-13-23-55(40)61-56(41)29-36/h3-28,30-33,44,52,56H,29H2,1-2H3
InChIKeyRBPPZSQCFCRQOR-UHFFFAOYSA-N
MW783.98 g/mol
LogP13.71
Rot. Bonds3

About 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 89472169) has the molecular formula C57H41N3O and a molecular weight of 783.98 g/mol. Its IUPAC name is 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID89472169
Molecular FormulaC57H41N3O
Molecular Weight783.98 g/mol
Exact Mass783.32
IUPAC Name11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccc5)c4cc21)c1ccccc1n3C1=CC2c3ccccc3N(C3=CC=C4c5ccccc5OC4C3)C2C=C1
InChIInChI=1S/C57H41N3O/c1-57(2)47-32-53-45(38-17-7-10-20-49(38)58(53)34-14-4-3-5-15-34)30-42(47)43-31-46-39-18-8-12-22-51(39)60(54(46)33-48(43)57)35-25-27-52-44(28-35)37-16-6-11-21-50(37)59(52)36-24-26-41-40-19-9-13-23-55(40)61-56(41)29-36/h3-28,30-33,44,52,56H,29H2,1-2H3
InChIKeyRBPPZSQCFCRQOR-UHFFFAOYSA-N
XLogP13.71
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 129136413
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
10-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 122470341
5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
CID 146246041
9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 70812572
15-(4-carbazol-9-ylphenyl)-11,11-dimethyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,25,27-tridecaene
CID 163787935

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 89472169) is 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccc5)c4cc21)c1ccccc1n3C1=CC2c3ccccc3N(C3=CC=C4c5ccccc5OC4C3)C2C=C1.
What is the InChIKey of 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is RBPPZSQCFCRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3O/c1-57(2)47-32-53-45(38-17-7-10-20-49(38)58(53)34-14-4-3-5-15-34)30-42(47)43-31-46-39-18-8-12-22-51(39)60(54(46)33-48(43)57)35-25-27-52-44(28-35)37-16-6-11-21-50(37)59(52)36-24-26-41-40-19-9-13-23-55(40)61-56(41)29-36/h3-28,30-33,44,52,56H,29H2,1-2H3.
What are the key properties of 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 783.98 g/mol, XLogP of 13.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 89472169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).