10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole

C70H48N2O — CID 145140854

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140854) has the molecular formula C70H48N2O and a molecular weight of 933.17 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 145140854
• Molecular Formula: C70H48N2O
• Molecular Weight: 933.17 g/mol
• Exact Mass: 932.38
• IUPAC Name: 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6C5=CC=C6c8ccccc8C(c8ccccc8)(c8ccccc8)C6C5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C70H48N2O/c1-69(2)59-27-15-12-25-50(59)53-39-56-54-36-43(30-34-63(54)71(65(56)41-61(53)69)47-22-10-5-11-23-47)44-31-35-64-55(37-44)57-40-58-52-26-14-17-29-67(52)73-68(58)42-66(57)72(64)48-32-33-51-49-24-13-16-28-60(49)70(62(51)38-48,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-37,39-42,62H,38H2,1-2H3
• InChIKey: JOWZVQVAOGAJBX-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.17
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 145140854) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6C5=CC=C6c8ccccc8C(c8ccccc8)(c8ccccc8)C6C5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?

The InChIKey is JOWZVQVAOGAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O/c1-69(2)59-27-15-12-25-50(59)53-39-56-54-36-43(30-34-63(54)71(65(56)41-61(53)69)47-22-10-5-11-23-47)44-31-35-64-55(37-44)57-40-58-52-26-14-17-29-67(52)73-68(58)42-66(57)72(64)48-32-33-51-49-24-13-16-28-60(49)70(62(51)38-48,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-37,39-42,62H,38H2,1-2H3.

What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 933.17 g/mol, XLogP of 18.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).