17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C75H60N2O — CID 168753143

About 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 168753143) has the molecular formula C75H60N2O and a molecular weight of 1005.32 g/mol. Its IUPAC name is 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

• Compound Name: 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• PubChem CID: 168753143
• Molecular Formula: C75H60N2O
• Molecular Weight: 1005.32 g/mol
• Exact Mass: 1004.47
• IUPAC Name: 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• SMILES: CC(C)c1ccc(-c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccc(C(C)(C)C)cc5)ccc3cc24)cc1
• InChI: InChI=1S/C75H60N2O/c1-50(2)51-30-32-54(33-31-51)67-26-12-14-28-71(67)76(63-24-16-22-56(42-63)52-18-8-6-9-19-52)65-40-36-58-46-69-70-47-59-37-41-66(45-61(59)49-74(70)78-73(69)48-60(58)44-65)77(64-25-17-23-57(43-64)53-20-10-7-11-21-53)72-29-15-13-27-68(72)55-34-38-62(39-35-55)75(3,4)5/h6-50H,1-5H3
• InChIKey: ODWLJZWRJXMEBG-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.32
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The IUPAC name of 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 168753143) is 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

What is the SMILES notation for 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The canonical SMILES for 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is CC(C)c1ccc(-c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccc(C(C)(C)C)cc5)ccc3cc24)cc1.

What is the InChIKey of 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The InChIKey is ODWLJZWRJXMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60N2O/c1-50(2)51-30-32-54(33-31-51)67-26-12-14-28-71(67)76(63-24-16-22-56(42-63)52-18-8-6-9-19-52)65-40-36-58-46-69-70-47-59-37-41-66(45-61(59)49-74(70)78-73(69)48-60(58)44-65)77(64-25-17-23-57(43-64)53-20-10-7-11-21-53)72-29-15-13-27-68(72)55-34-38-62(39-35-55)75(3,4)5/h6-50H,1-5H3.

What are the key properties of 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 1005.32 g/mol, XLogP of 21.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 168753143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).