6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine

C73H56N4 — CID 144990303

About 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine

6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine (PubChem CID 144990303) has the molecular formula C73H56N4 and a molecular weight of 989.28 g/mol. Its IUPAC name is 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine
• PubChem CID: 144990303
• Molecular Formula: C73H56N4
• Molecular Weight: 989.28 g/mol
• Exact Mass: 988.45
• IUPAC Name: 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine
• SMILES: C/C=C\C=C1/c2ccccc2-c2c(cc(-c3ccc4c(c3)c3cc(N(C5=CC=CCC5)c5ccccc5)ccc3n4C3=CC=CCC3)c3ccccc23)N1c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1
• InChI: InChI=1S/C73H56N4/c1-2-3-37-69-63-34-20-22-36-65(63)73-64-35-21-19-33-62(64)66(50-72(73)77(69)60-42-39-51-46-59(41-38-52(51)47-60)74(54-23-9-4-10-24-54)55-25-11-5-12-26-55)53-40-44-70-67(48-53)68-49-61(43-45-71(68)76(70)58-31-17-8-18-32-58)75(56-27-13-6-14-28-56)57-29-15-7-16-30-57/h2-15,17,19-29,31,33-50H,16,18,30,32H2,1H3/b3-2-,69-37+
• InChIKey: ITWYLGKADBWMJM-ZMVBLHCVSA-N
• XLogP: 20.54
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.28
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine?

The IUPAC name of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine (CID 144990303) is 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine.

What is the SMILES notation for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine?

The canonical SMILES for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine is C/C=C\C=C1/c2ccccc2-c2c(cc(-c3ccc4c(c3)c3cc(N(C5=CC=CCC5)c5ccccc5)ccc3n4C3=CC=CCC3)c3ccccc23)N1c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.

What is the InChIKey of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine?

The InChIKey is ITWYLGKADBWMJM-ZMVBLHCVSA-N. The full InChI is InChI=1S/C73H56N4/c1-2-3-37-69-63-34-20-22-36-65(63)73-64-35-21-19-33-62(64)66(50-72(73)77(69)60-42-39-51-46-59(41-38-52(51)47-60)74(54-23-9-4-10-24-54)55-25-11-5-12-26-55)53-40-44-70-67(48-53)68-49-61(43-45-71(68)76(70)58-31-17-8-18-32-58)75(56-27-13-6-14-28-56)57-29-15-7-16-30-57/h2-15,17,19-29,31,33-50H,16,18,30,32H2,1H3/b3-2-,69-37+.

What are the key properties of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine?

6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine has a molecular weight of 989.28 g/mol, XLogP of 20.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 144990303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).