N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine

C68H51N3 — CID 134431639

About N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine

N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine (PubChem CID 134431639) has the molecular formula C68H51N3 and a molecular weight of 910.18 g/mol. Its IUPAC name is N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine.

Molecular Properties

• Compound Name: N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine
• PubChem CID: 134431639
• Molecular Formula: C68H51N3
• Molecular Weight: 910.18 g/mol
• Exact Mass: 909.41
• IUPAC Name: N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine
• SMILES: C=C/C(=N\C(=C/C(=C)c1ccc(-c2ccccc2)cc1)c1cccc(-n2c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)c3c3c4ccccc4ccc32)c1)c1ccccc1
• InChI: InChI=1S/C68H51N3/c1-5-60(51-24-11-7-12-25-51)69-61(43-46(2)47-35-37-49(38-36-47)48-21-9-6-10-22-48)53-26-19-29-55(44-53)71-63-34-20-31-57(67(63)66-56-30-16-15-23-50(56)40-42-64(66)71)52-39-41-59-65(45-52)70(54-27-13-8-14-28-54)62-33-18-17-32-58(62)68(59,3)4/h5-45H,1-2H2,3-4H3/b61-43-,69-60+
• InChIKey: QQKRKVUMSRFZHO-SDYOXOLFSA-N
• XLogP: 18.11
• TPSA: 20.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.18
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine?

The IUPAC name of N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine (CID 134431639) is N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine.

What is the SMILES notation for N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine?

The canonical SMILES for N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine is C=C/C(=N\C(=C/C(=C)c1ccc(-c2ccccc2)cc1)c1cccc(-n2c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(C)C)c3c3c4ccccc4ccc32)c1)c1ccccc1.

What is the InChIKey of N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine?

The InChIKey is QQKRKVUMSRFZHO-SDYOXOLFSA-N. The full InChI is InChI=1S/C68H51N3/c1-5-60(51-24-11-7-12-25-51)69-61(43-46(2)47-35-37-49(38-36-47)48-21-9-6-10-22-48)53-26-19-29-55(44-53)71-63-34-20-31-57(67(63)66-56-30-16-15-23-50(56)40-42-64(66)71)52-39-41-59-65(45-52)70(54-27-13-8-14-28-54)62-33-18-17-32-58(62)68(59,3)4/h5-45H,1-2H2,3-4H3/b61-43-,69-60+.

What are the key properties of N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine?

N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine has a molecular weight of 910.18 g/mol, XLogP of 18.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 134431639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).