11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine

C85H74FN3O3 — CID 165024838

About 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine

11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine (PubChem CID 165024838) has the molecular formula C85H74FN3O3 and a molecular weight of 1204.54 g/mol. Its IUPAC name is 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine.

Molecular Properties

• Compound Name: 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine
• PubChem CID: 165024838
• Molecular Formula: C85H74FN3O3
• Molecular Weight: 1204.54 g/mol
• Exact Mass: 1203.57
• IUPAC Name: 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)Oc2ccccc2-3)c2cc3c(c4c2C=CC4(C)C)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)C(C)(C)Oc4ccccc4-5)c4c2oc2ncccc24)C3(c2ccccc2)c2cccc(F)c2)cc1
• InChI: InChI=1S/C85H74FN3O3/c1-80(2,3)51-31-35-56(36-32-51)88(58-39-41-60-62-26-16-18-29-72(62)91-83(9,10)66(60)47-58)70-49-68-75(77-64(70)43-44-82(77,7)8)76-69(85(68,53-22-14-13-15-23-53)54-24-20-25-55(86)46-54)50-71(74-65-28-21-45-87-79(65)90-78(74)76)89(57-37-33-52(34-38-57)81(4,5)6)59-40-42-61-63-27-17-19-30-73(63)92-84(11,12)67(61)48-59/h13-50H,1-12H3
• InChIKey: OMFXUZDHTFAITG-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 50.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.54
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine?

The IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine (CID 165024838) is 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine.

What is the SMILES notation for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine?

The canonical SMILES for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)Oc2ccccc2-3)c2cc3c(c4c2C=CC4(C)C)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)C(C)(C)Oc4ccccc4-5)c4c2oc2ncccc24)C3(c2ccccc2)c2cccc(F)c2)cc1.

What is the InChIKey of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine?

The InChIKey is OMFXUZDHTFAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H74FN3O3/c1-80(2,3)51-31-35-56(36-32-51)88(58-39-41-60-62-26-16-18-29-72(62)91-83(9,10)66(60)47-58)70-49-68-75(77-64(70)43-44-82(77,7)8)76-69(85(68,53-22-14-13-15-23-53)54-24-20-25-55(86)46-54)50-71(74-65-28-21-45-87-79(65)90-78(74)76)89(57-37-33-52(34-38-57)81(4,5)6)59-40-42-61-63-27-17-19-30-73(63)92-84(11,12)67(61)48-59/h13-50H,1-12H3.

What are the key properties of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine?

11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine has a molecular weight of 1204.54 g/mol, XLogP of 22.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis(6,6-dimethylbenzo[c]chromen-8-yl)-14-(3-fluorophenyl)-21,21-dimethyl-14-phenyl-3-oxa-5-azahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4(9),5,7,10,12,15,17,19,22-decaene-11,17-diamine is sourced from PubChem (CID 165024838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).