6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

C74H45N3O — CID 145380754

About 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (PubChem CID 145380754) has the molecular formula C74H45N3O and a molecular weight of 992.19 g/mol. Its IUPAC name is 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• PubChem CID: 145380754
• Molecular Formula: C74H45N3O
• Molecular Weight: 992.19 g/mol
• Exact Mass: 991.36
• IUPAC Name: 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• SMILES: C1=CCCC(n2c3ccccc3c3cc(-c4ccc5cc6c7cc(-c8ccc9oc%10ccccc%10c9c8)cc8c9cc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10cc9n(c6cc5c4)c78)ccc32)=C1
• InChI: InChI=1S/C74H45N3O/c1-3-13-54(14-4-1)75-66-20-10-7-17-56(66)59-35-46(27-30-68(59)75)44-23-25-48-37-61-64-40-53(50-29-32-73-63(39-50)58-19-9-12-22-72(58)78-73)41-65-62-38-49-26-24-45(34-52(49)43-71(62)77(74(64)65)70(61)42-51(48)33-44)47-28-31-69-60(36-47)57-18-8-11-21-67(57)76(69)55-15-5-2-6-16-55/h1-5,7-15,17-43H,6,16H2
• InChIKey: UUUUVKLFVRGYSS-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 27.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.19
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The IUPAC name of 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (CID 145380754) is 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

What is the SMILES notation for 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The canonical SMILES for 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is C1=CCCC(n2c3ccccc3c3cc(-c4ccc5cc6c7cc(-c8ccc9oc%10ccccc%10c9c8)cc8c9cc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10cc9n(c6cc5c4)c78)ccc32)=C1.

What is the InChIKey of 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The InChIKey is UUUUVKLFVRGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45N3O/c1-3-13-54(14-4-1)75-66-20-10-7-17-56(66)59-35-46(27-30-68(59)75)44-23-25-48-37-61-64-40-53(50-29-32-73-63(39-50)58-19-9-12-22-72(58)78-73)41-65-62-38-49-26-24-45(34-52(49)43-71(62)77(74(64)65)70(61)42-51(48)33-44)47-28-31-69-60(36-47)57-18-8-11-21-67(57)76(69)55-15-5-2-6-16-55/h1-5,7-15,17-43H,6,16H2.

What are the key properties of 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene has a molecular weight of 992.19 g/mol, XLogP of 20.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-dibenzofuran-2-yl-22-(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is sourced from PubChem (CID 145380754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).