N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine

C53H39N7O2 — CID 157068270

About N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine

N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine (PubChem CID 157068270) has the molecular formula C53H39N7O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
• PubChem CID: 157068270
• Molecular Formula: C53H39N7O2
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.32
• IUPAC Name: N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(N(C)C)ccn9)c8c7)c6)cn5)c4)cc32)c1
• InChI: InChI=1S/C53H39N7O2/c1-34-22-24-54-52(26-34)59-48-16-6-4-14-42(48)44-20-18-40(30-50(44)59)61-38-12-8-10-35(27-38)46-32-57-47(33-56-46)36-11-9-13-39(28-36)62-41-19-21-45-43-15-5-7-17-49(43)60(51(45)31-41)53-29-37(58(2)3)23-25-55-53/h4-33H,1-3H3
• InChIKey: UCVSFSZTMRVJQQ-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 83.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine?

The IUPAC name of N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine (CID 157068270) is N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine.

What is the SMILES notation for N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine?

The canonical SMILES for N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(N(C)C)ccn9)c8c7)c6)cn5)c4)cc32)c1.

What is the InChIKey of N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine?

The InChIKey is UCVSFSZTMRVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N7O2/c1-34-22-24-54-52(26-34)59-48-16-6-4-14-42(48)44-20-18-40(30-50(44)59)61-38-12-8-10-35(27-38)46-32-57-47(33-56-46)36-11-9-13-39(28-36)62-41-19-21-45-43-15-5-7-17-49(43)60(51(45)31-41)53-29-37(58(2)3)23-25-55-53/h4-33H,1-3H3.

What are the key properties of N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine?

N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine has a molecular weight of 805.94 g/mol, XLogP of 12.75, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine is sourced from PubChem (CID 157068270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).