3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)

C231H221N7O24 — CID 158841591

About 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)

3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne) (PubChem CID 158841591) has the molecular formula C231H221N7O24 and a molecular weight of 3479.33 g/mol. Its IUPAC name is 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne).

Molecular Properties

• Compound Name: 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)
• PubChem CID: 158841591
• Molecular Formula: C231H221N7O24
• Molecular Weight: 3479.33 g/mol
• Exact Mass: 3476.63
• IUPAC Name: 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)
• SMILES: C#CC.C#CC.CC(C)(C)Oc1cc(OC(C)(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(OC(C)(C)C)cc(OC(C)(C)C)cc6oc5=O)ccc3-4)c(=O)oc2c1.CC1(C)c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4oc3=O)cc21.CCCCN(CCCC)c1ccc2cc(-c3cnc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc7cc8c9c(c7oc6=O)C(C)(C)CCN9CCC8(C)C)ccc4-5)cn3)c(=O)oc2c1.CCCN(CCC)c1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccc(N(CCC)CCC)cc6oc5=O)ccc3-4)c(=O)oc2c1.Cc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccc(C)cc6oc5=O)ccc3-4)c(=O)oc2c1
• InChI: InChI=1S/C55H58N4O4.C49H54O8.C45H48N2O4.C41H27NO4.C35H26O4.2C3H4/c1-9-11-21-58(22-12-10-2)37-16-13-35-25-41(52(61)62-47(35)30-37)46-32-56-45(31-57-46)34-15-18-39-38-17-14-33(27-42(38)55(7,8)43(39)28-34)40-26-36-29-44-49-48(50(36)63-51(40)60)54(5,6)20-24-59(49)23-19-53(44,3)4;1-45(2,3)54-29-21-39-35(41(23-29)56-47(7,8)9)25-33(43(50)52-39)27-15-17-31-32-18-16-28(20-38(32)49(13,14)37(31)19-27)34-26-36-40(53-44(34)51)22-30(55-46(4,5)6)24-42(36)57-48(10,11)12;1-7-19-46(20-8-2)33-15-11-31-23-37(43(48)50-41(31)27-33)29-13-17-35-36-18-14-30(26-40(36)45(5,6)39(35)25-29)38-24-32-12-16-34(28-42(32)51-44(38)49)47(21-9-3)22-10-4;1-41(2)35-18-22(32-17-24-11-14-25(42)20-37(24)45-39(32)43)12-15-29(35)30-16-13-23(19-36(30)41)33-21-34-28-9-4-3-7-26(28)27-8-5-6-10-31(27)38(34)46-40(33)44;1-19-5-7-23-15-27(33(36)38-31(23)13-19)21-9-11-25-26-12-10-22(18-30(26)35(3,4)29(25)17-21)28-16-24-8-6-20(2)14-32(24)39-34(28)37;2*1-3-2/h13-18,25-32H,9-12,19-24H2,1-8H3;15-26H,1-14H3;11-18,23-28H,7-10,19-22H2,1-6H3;3-21H,42H2,1-2H3;5-18H,1-4H3;2*1H,2H3
• InChIKey: IYHSPEUNODHVPS-UHFFFAOYSA-N
• XLogP: 54.48
• TPSA: 403.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3479.33
LogP ≤ 5	54.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)?

The IUPAC name of 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne) (CID 158841591) is 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne).

What is the SMILES notation for 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)?

The canonical SMILES for 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne) is C#CC.C#CC.CC(C)(C)Oc1cc(OC(C)(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(OC(C)(C)C)cc(OC(C)(C)C)cc6oc5=O)ccc3-4)c(=O)oc2c1.CC1(C)c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4oc3=O)cc21.CCCCN(CCCC)c1ccc2cc(-c3cnc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc7cc8c9c(c7oc6=O)C(C)(C)CCN9CCC8(C)C)ccc4-5)cn3)c(=O)oc2c1.CCCN(CCC)c1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccc(N(CCC)CCC)cc6oc5=O)ccc3-4)c(=O)oc2c1.Cc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccc(C)cc6oc5=O)ccc3-4)c(=O)oc2c1.

What is the InChIKey of 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)?

The InChIKey is IYHSPEUNODHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58N4O4.C49H54O8.C45H48N2O4.C41H27NO4.C35H26O4.2C3H4/c1-9-11-21-58(22-12-10-2)37-16-13-35-25-41(52(61)62-47(35)30-37)46-32-56-45(31-57-46)34-15-18-39-38-17-14-33(27-42(38)55(7,8)43(39)28-34)40-26-36-29-44-49-48(50(36)63-51(40)60)54(5,6)20-24-59(49)23-19-53(44,3)4;1-45(2,3)54-29-21-39-35(41(23-29)56-47(7,8)9)25-33(43(50)52-39)27-15-17-31-32-18-16-28(20-38(32)49(13,14)37(31)19-27)34-26-36-40(53-44(34)51)22-30(55-46(4,5)6)24-42(36)57-48(10,11)12;1-7-19-46(20-8-2)33-15-11-31-23-37(43(48)50-41(31)27-33)29-13-17-35-36-18-14-30(26-40(36)45(5,6)39(35)25-29)38-24-32-12-16-34(28-42(32)51-44(38)49)47(21-9-3)22-10-4;1-41(2)35-18-22(32-17-24-11-14-25(42)20-37(24)45-39(32)43)12-15-29(35)30-16-13-23(19-36(30)41)33-21-34-28-9-4-3-7-26(28)27-8-5-6-10-31(27)38(34)46-40(33)44;1-19-5-7-23-15-27(33(36)38-31(23)13-19)21-9-11-25-26-12-10-22(18-30(26)35(3,4)29(25)17-21)28-16-24-8-6-20(2)14-32(24)39-34(28)37;2*1-3-2/h13-18,25-32H,9-12,19-24H2,1-8H3;15-26H,1-14H3;11-18,23-28H,7-10,19-22H2,1-6H3;3-21H,42H2,1-2H3;5-18H,1-4H3;2*1H,2H3.

What are the key properties of 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne)?

3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne) has a molecular weight of 3479.33 g/mol, XLogP of 54.48, 32 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(7-amino-2-oxochromen-3-yl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyran-2-one;3-[7-[5,7-bis[(2-methylpropan-2-yl)oxy]-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]-5,7-bis[(2-methylpropan-2-yl)oxy]chromen-2-one;5-[7-[5-[7-(dibutylamino)-2-oxochromen-3-yl]pyrazin-2-yl]-9,9-dimethylfluoren-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-[9,9-dimethyl-7-(7-methyl-2-oxochromen-3-yl)fluoren-2-yl]-7-methylchromen-2-one;7-(dipropylamino)-3-[7-[7-(dipropylamino)-2-oxochromen-3-yl]-9,9-dimethylfluoren-2-yl]chromen-2-one;bis(prop-1-yne) is sourced from PubChem (CID 158841591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).