N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

C68H48N4 — CID 144884698

About N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (PubChem CID 144884698) has the molecular formula C68H48N4 and a molecular weight of 921.16 g/mol. Its IUPAC name is N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
• PubChem CID: 144884698
• Molecular Formula: C68H48N4
• Molecular Weight: 921.16 g/mol
• Exact Mass: 920.39
• IUPAC Name: N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
• SMILES: C=C/C=C(\C=C)n1c2ccccc2c2cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C68H48N4/c1-3-18-51(4-2)71-65-29-14-12-27-59(65)61-45-55(41-43-67(61)71)69(63-31-16-21-49-19-8-10-25-57(49)63)53-37-33-47(34-38-53)48-35-39-54(40-36-48)70(64-32-17-22-50-20-9-11-26-58(50)64)56-42-44-68-62(46-56)60-28-13-15-30-66(60)72(68)52-23-6-5-7-24-52/h3-46H,1-2H2/b51-18+
• InChIKey: APVXBLXQUAJVGZ-PARJSZICSA-N
• XLogP: 19.02
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.16
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The IUPAC name of N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (CID 144884698) is N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The canonical SMILES for N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is C=C/C=C(\C=C)n1c2ccccc2c2cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc21.

What is the InChIKey of N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The InChIKey is APVXBLXQUAJVGZ-PARJSZICSA-N. The full InChI is InChI=1S/C68H48N4/c1-3-18-51(4-2)71-65-29-14-12-27-59(65)61-45-55(41-43-67(61)71)69(63-31-16-21-49-19-8-10-25-57(49)63)53-37-33-47(34-38-53)48-35-39-54(40-36-48)70(64-32-17-22-50-20-9-11-26-58(50)64)56-42-44-68-62(46-56)60-28-13-15-30-66(60)72(68)52-23-6-5-7-24-52/h3-46H,1-2H2/b51-18+.

What are the key properties of N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine has a molecular weight of 921.16 g/mol, XLogP of 19.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 144884698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).