9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C292H181N7O4S — CID 165041015

About 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 165041015) has the molecular formula C292H181N7O4S and a molecular weight of 3883.77 g/mol. Its IUPAC name is 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 165041015
• Molecular Formula: C292H181N7O4S
• Molecular Weight: 3883.77 g/mol
• Exact Mass: 3880.39
• IUPAC Name: 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc34)cc21.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6cc(-c7ccc8ccccc8c7)ccc6n5)c4c32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc34)ccc2c1
• InChI: InChI=1S/C60H42O.3C50H30O.C46H28N4.C36H21N3S/c1-59(2)50-19-11-9-15-41(50)43-26-23-38(32-52(43)59)56-45-17-7-8-18-46(45)57(39-24-27-44-42-16-10-12-20-51(42)60(3,4)53(44)33-39)49-31-36(21-28-47(49)56)37-22-29-48-55(34-37)61-54-30-25-35-13-5-6-14-40(35)58(48)54;1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44;1-3-12-34-27-38(19-17-31(34)9-1)48-41-15-7-8-16-42(41)49(39-20-18-32-10-2-4-13-35(32)28-39)45-29-36(21-24-43(45)48)37-22-25-44-47(30-37)51-46-26-23-33-11-5-6-14-40(33)50(44)46;1-3-11-33-25-39(19-17-31(33)9-1)49-42-15-7-8-16-43(42)50(40-20-18-32-10-2-4-12-34(32)26-40)46-28-37(22-24-44(46)49)38-21-23-41-45-27-35-13-5-6-14-36(35)29-48(45)51-47(41)30-38;1-2-14-34(15-3-1)49-40-20-10-8-18-37(40)42-35-16-6-7-17-36(35)43-38-19-9-11-21-41(38)50(45(43)44(42)49)46-47-28-33-27-32(24-25-39(33)48-46)31-23-22-29-12-4-5-13-30(29)26-31;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39/h5-34H,1-4H3;3*1-30H;1-28H;1-21H
• InChIKey: OCYSMCZJCRXPJZ-UHFFFAOYSA-N
• XLogP: 81.43
• TPSA: 118.91 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3883.77
LogP ≤ 5	81.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 165041015) is 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc34)cc21.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6cc(-c7ccc8ccccc8c7)ccc6n5)c4c32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc34)ccc2c1.

What is the InChIKey of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is OCYSMCZJCRXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O.3C50H30O.C46H28N4.C36H21N3S/c1-59(2)50-19-11-9-15-41(50)43-26-23-38(32-52(43)59)56-45-17-7-8-18-46(45)57(39-24-27-44-42-16-10-12-20-51(42)60(3,4)53(44)33-39)49-31-36(21-28-47(49)56)37-22-29-48-55(34-37)61-54-30-25-35-13-5-6-14-40(35)58(48)54;1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44;1-3-12-34-27-38(19-17-31(34)9-1)48-41-15-7-8-16-42(41)49(39-20-18-32-10-2-4-13-35(32)28-39)45-29-36(21-24-43(45)48)37-22-25-44-47(30-37)51-46-26-23-33-11-5-6-14-40(33)50(44)46;1-3-11-33-25-39(19-17-31(33)9-1)49-42-15-7-8-16-43(42)50(40-20-18-32-10-2-4-12-34(32)26-40)46-28-37(22-24-44(46)49)38-21-23-41-45-27-35-13-5-6-14-36(35)29-48(45)51-47(41)30-38;1-2-14-34(15-3-1)49-40-20-10-8-18-37(40)42-35-16-6-7-17-36(35)43-38-19-9-11-21-41(38)50(45(43)44(42)49)46-47-28-33-27-32(24-25-39(33)48-46)31-23-22-29-12-4-5-13-30(29)26-31;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39/h5-34H,1-4H3;3*1-30H;1-28H;1-21H.

What are the key properties of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 3883.77 g/mol, XLogP of 81.43, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]naphtho[2,1-b][1]benzofuran;3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 165041015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).