N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine

C70H55N3 — CID 144920210

About N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine

N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine (PubChem CID 144920210) has the molecular formula C70H55N3 and a molecular weight of 938.23 g/mol. Its IUPAC name is N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine.

Molecular Properties

• Compound Name: N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine
• PubChem CID: 144920210
• Molecular Formula: C70H55N3
• Molecular Weight: 938.23 g/mol
• Exact Mass: 937.44
• IUPAC Name: N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine
• SMILES: CC(c1ccccc1)C(Cc1cccc2c1c1ccccc1n2C)c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6cccc(N(C)c7ccccc7)c6c6c7ccccc7ccc65)cc4)c3)c2)cc1
• InChI: InChI=1S/C70H55N3/c1-47(48-18-6-4-7-19-48)62(46-57-25-16-31-64-68(57)61-29-12-13-30-63(61)72(64)3)52-36-34-49(35-37-52)53-21-14-23-55(44-53)56-24-15-22-54(45-56)50-38-41-59(42-39-50)73-66-33-17-32-65(71(2)58-26-8-5-9-27-58)70(66)69-60-28-11-10-20-51(60)40-43-67(69)73/h4-45,47,62H,46H2,1-3H3
• InChIKey: YOPMEYRJBMUDFA-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.23
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine?

The IUPAC name of N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine (CID 144920210) is N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine.

What is the SMILES notation for N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine?

The canonical SMILES for N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine is CC(c1ccccc1)C(Cc1cccc2c1c1ccccc1n2C)c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6cccc(N(C)c7ccccc7)c6c6c7ccccc7ccc65)cc4)c3)c2)cc1.

What is the InChIKey of N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine?

The InChIKey is YOPMEYRJBMUDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55N3/c1-47(48-18-6-4-7-19-48)62(46-57-25-16-31-64-68(57)61-29-12-13-30-63(61)72(64)3)52-36-34-49(35-37-52)53-21-14-23-55(44-53)56-24-15-22-54(45-56)50-38-41-59(42-39-50)73-66-33-17-32-65(71(2)58-26-8-5-9-27-58)70(66)69-60-28-11-10-20-51(60)40-43-67(69)73/h4-45,47,62H,46H2,1-3H3.

What are the key properties of N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine?

N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine has a molecular weight of 938.23 g/mol, XLogP of 18.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-7-[4-[3-[3-[4-[1-(9-methylcarbazol-4-yl)-3-phenylbutan-2-yl]phenyl]phenyl]phenyl]phenyl]-N-phenylbenzo[c]carbazol-11-amine is sourced from PubChem (CID 144920210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).