2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C₇₅H₄₈N₄O₂ — CID 155360325

About 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155360325) has the molecular formula C₇₅H₄₈N₄O₂ and a molecular weight of 1037.24 g/mol. Its IUPAC name is 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155360325
• Molecular Formula: C₇₅H₄₈N₄O₂
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.38
• IUPAC Name: 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: Cc1c2c(cc3oc4cc5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5cc4c13)oc1cc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3cc12
• InChI: InChI=1S/C75H48N4O2/c1-47-74-64-40-48-30-32-56(76(52-18-6-2-7-19-52)58-34-36-68-62(44-58)60-26-14-16-28-66(60)78(68)54-22-10-4-11-23-54)38-50(48)42-70(64)80-72(74)46-73-75(47)65-41-49-31-33-57(39-51(49)43-71(65)81-73)77(53-20-8-3-9-21-53)59-35-37-69-63(45-59)61-27-15-17-29-67(61)79(69)55-24-12-5-13-25-55/h2-46H,1H3
• InChIKey: FUOOYBNGQKIVCS-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.24
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155360325) is 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1c2c(cc3oc4cc5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5cc4c13)oc1cc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3cc12.

What is the InChIKey of 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is FUOOYBNGQKIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N4O2/c1-47-74-64-40-48-30-32-56(76(52-18-6-2-7-19-52)58-34-36-68-62(44-58)60-26-14-16-28-66(60)78(68)54-22-10-4-11-23-54)38-50(48)42-70(64)80-72(74)46-73-75(47)65-41-49-31-33-57(39-51(49)43-71(65)81-73)77(53-20-8-3-9-21-53)59-35-37-69-63(45-59)61-27-15-17-29-67(61)79(69)55-24-12-5-13-25-55/h2-46H,1H3.

What are the key properties of 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 1037.24 g/mol, XLogP of 21.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155360325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155360325 — identifiers, structure, computed properties (public domain)

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