2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride

C109H72BrN8O4- — CID 158811854

About 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride

2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride (PubChem CID 158811854) has the molecular formula C109H72BrN8O4- and a molecular weight of 1638.74 g/mol. Its IUPAC name is 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride.

Molecular Properties

• Compound Name: 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride
• PubChem CID: 158811854
• Molecular Formula: C109H72BrN8O4-
• Molecular Weight: 1638.74 g/mol
• Exact Mass: 1636.49
• IUPAC Name: 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride
• SMILES: Brc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.[CH3-].[H][2H].c1ccc2c(Nc3ccc(-c4nc5ccccc5o4)cc3)cccc2c1.c1ccc2c(c1)ccc1c3cc(-c4nc5ccccc5o4)ccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cc3)c21
• InChI: InChI=1S/C54H32N4O2.C31H19BrN2O.C23H16N2O.CH3.H2/c1-2-10-40-35(9-1)21-28-42-44-32-37(54-56-46-13-5-8-16-51(46)60-54)23-30-49(44)58(52(40)42)39-26-19-34(20-27-39)33-17-24-38(25-18-33)57-47-14-6-3-11-41(47)43-31-36(22-29-48(43)57)53-55-45-12-4-7-15-50(45)59-53;32-23-14-9-20(10-15-23)21-11-16-24(17-12-21)34-28-7-3-1-5-25(28)26-19-22(13-18-29(26)34)31-33-27-6-2-4-8-30(27)35-31;1-2-8-19-16(6-1)7-5-10-20(19)24-18-14-12-17(13-15-18)23-25-21-9-3-4-11-22(21)26-23;;/h1-32H;1-19H;1-15,24H;1H3;1H/q;;;-1;/i;;;;1+1
• InChIKey: IUUGBDBTJYCUAY-RCUQKECRSA-N
• XLogP: 30.43
• TPSA: 130.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.74
LogP ≤ 5	30.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride?

The IUPAC name of 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride (CID 158811854) is 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride.

What is the SMILES notation for 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride?

The canonical SMILES for 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride is Brc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.[CH3-].[H][2H].c1ccc2c(Nc3ccc(-c4nc5ccccc5o4)cc3)cccc2c1.c1ccc2c(c1)ccc1c3cc(-c4nc5ccccc5o4)ccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cc3)c21.

What is the InChIKey of 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride?

The InChIKey is IUUGBDBTJYCUAY-RCUQKECRSA-N. The full InChI is InChI=1S/C54H32N4O2.C31H19BrN2O.C23H16N2O.CH3.H2/c1-2-10-40-35(9-1)21-28-42-44-32-37(54-56-46-13-5-8-16-51(46)60-54)23-30-49(44)58(52(40)42)39-26-19-34(20-27-39)33-17-24-38(25-18-33)57-47-14-6-3-11-41(47)43-31-36(22-29-48(43)57)53-55-45-12-4-7-15-50(45)59-53;32-23-14-9-20(10-15-23)21-11-16-24(17-12-21)34-28-7-3-1-5-25(28)26-19-22(13-18-29(26)34)31-33-27-6-2-4-8-30(27)35-31;1-2-8-19-16(6-1)7-5-10-20(19)24-18-14-12-17(13-15-18)23-25-21-9-3-4-11-22(21)26-23;;/h1-32H;1-19H;1-15,24H;1H3;1H/q;;;-1;/i;;;;1+1.

What are the key properties of 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride?

2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride has a molecular weight of 1638.74 g/mol, XLogP of 30.43, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-[4-[8-(1,3-benzoxazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;2-[9-[4-(4-bromophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;carbanide;deuterium monohydride is sourced from PubChem (CID 158811854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).