2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole

C98H62N4 — CID 160886256

About 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole

2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole (PubChem CID 160886256) has the molecular formula C98H62N4 and a molecular weight of 1295.60 g/mol. Its IUPAC name is 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
• PubChem CID: 160886256
• Molecular Formula: C98H62N4
• Molecular Weight: 1295.60 g/mol
• Exact Mass: 1294.50
• IUPAC Name: 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c5cc(-c6ccc7c(ccc8c7c7ccccc7n8-c7cccc8ccccc78)c6)ccc5ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4ccc32)cc1
• InChI: InChI=1S/C54H34N2.C44H28N2/c1-2-11-35(12-3-1)36-23-28-42(29-24-36)55-49-18-8-6-16-45(49)54-47-34-40(22-21-38(47)26-31-51(54)55)39-25-30-44-41(33-39)27-32-52-53(44)46-17-7-9-19-50(46)56(52)48-20-10-14-37-13-4-5-15-43(37)48;1-3-12-33(13-4-1)45-39-18-10-9-17-36(39)44-37-27-31(20-19-30(37)22-26-42(44)45)32-23-24-40-38(28-32)43-35-16-8-7-11-29(35)21-25-41(43)46(40)34-14-5-2-6-15-34/h1-34H;1-28H
• InChIKey: SNRDSWWTHNGNNK-UHFFFAOYSA-N
• XLogP: 26.53
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.60
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?

The IUPAC name of 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole (CID 160886256) is 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole.

What is the SMILES notation for 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?

The canonical SMILES for 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c5cc(-c6ccc7c(ccc8c7c7ccccc7n8-c7cccc8ccccc78)c6)ccc5ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4ccc32)cc1.

What is the InChIKey of 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?

The InChIKey is SNRDSWWTHNGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2.C44H28N2/c1-2-11-35(12-3-1)36-23-28-42(29-24-36)55-49-18-8-6-16-45(49)54-47-34-40(22-21-38(47)26-31-51(54)55)39-25-30-44-41(33-39)27-32-52-53(44)46-17-7-9-19-50(46)56(52)48-20-10-14-37-13-4-5-15-43(37)48;1-3-12-33(13-4-1)45-39-18-10-9-17-36(39)44-37-27-31(20-19-30(37)22-26-42(44)45)32-23-24-40-38(28-32)43-35-16-8-7-11-29(35)21-25-41(43)46(40)34-14-5-2-6-15-34/h1-34H;1-28H.

What are the key properties of 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?

2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole has a molecular weight of 1295.60 g/mol, XLogP of 26.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole is sourced from PubChem (CID 160886256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).