N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine

C54H34N2O2 — CID 134271622

About N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine

N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine (PubChem CID 134271622) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine
• PubChem CID: 134271622
• Molecular Formula: C54H34N2O2
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.26
• IUPAC Name: N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)ccc32)cc1
• InChI: InChI=1S/C54H34N2O2/c1-2-14-35(15-3-1)56-49-21-9-4-16-41(49)48-34-38(28-31-50(48)56)55(36-26-29-39-42-17-5-10-22-51(42)57-53-24-12-7-19-44(53)46(39)32-36)37-27-30-40-43-18-6-11-23-52(43)58-54-25-13-8-20-45(54)47(40)33-37/h1-34H
• InChIKey: ODJRZMHDYIVEGQ-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 26.63 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine?

The IUPAC name of N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine (CID 134271622) is N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine.

What is the SMILES notation for N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine?

The canonical SMILES for N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)ccc32)cc1.

What is the InChIKey of N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine?

The InChIKey is ODJRZMHDYIVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-14-35(15-3-1)56-49-21-9-4-16-41(49)48-34-38(28-31-50(48)56)55(36-26-29-39-42-17-5-10-22-51(42)57-53-24-12-7-19-44(53)46(39)32-36)37-27-30-40-43-18-6-11-23-52(43)58-54-25-13-8-20-45(54)47(40)33-37/h1-34H.

What are the key properties of N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine?

N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine has a molecular weight of 742.88 g/mol, XLogP of 15.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 134271622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).