N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine

C75H48N4O2 — CID 118651753

About N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 118651753) has the molecular formula C75H48N4O2 and a molecular weight of 1037.23 g/mol. Its IUPAC name is N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 118651753
• Molecular Formula: C75H48N4O2
• Molecular Weight: 1037.23 g/mol
• Exact Mass: 1036.38
• IUPAC Name: N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4c(ccc5c4c4ccccc4n5-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c6ccccc6n5-c5ccc6oc7ccccc7c6c5)c43)cc21
• InChI: InChI=1S/C75H48N4O2/c1-75(2)60-25-11-6-19-50(60)51-37-35-49(44-61(51)75)79-72-54(55-39-41-65-71(73(55)79)58-23-8-13-27-63(58)78(65)48-36-42-69-59(43-48)53-21-10-14-29-67(53)80-69)38-40-64-70(72)57-22-7-12-26-62(57)77(64)47-33-31-46(32-34-47)76(45-17-4-3-5-18-45)66-28-16-24-56-52-20-9-15-30-68(52)81-74(56)66/h3-44H,1-2H3
• InChIKey: BMKYBGCSRKGBOZ-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 44.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.23
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 118651753) is N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(-n3c4c(ccc5c4c4ccccc4n5-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c6ccccc6n5-c5ccc6oc7ccccc7c6c5)c43)cc21.

What is the InChIKey of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is BMKYBGCSRKGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N4O2/c1-75(2)60-25-11-6-19-50(60)51-37-35-49(44-61(51)75)79-72-54(55-39-41-65-71(73(55)79)58-23-8-13-27-63(58)78(65)48-36-42-69-59(43-48)53-21-10-14-29-67(53)80-69)38-40-64-70(72)57-22-7-12-26-62(57)77(64)47-33-31-46(32-34-47)76(45-17-4-3-5-18-45)66-28-16-24-56-52-20-9-15-30-68(52)81-74(56)66/h3-44H,1-2H3.

What are the key properties of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine?

N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1037.23 g/mol, XLogP of 20.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 118651753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).