7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole

C65H43N5 — CID 146375819

About 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole

7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole (PubChem CID 146375819) has the molecular formula C65H43N5 and a molecular weight of 894.09 g/mol. Its IUPAC name is 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole
• PubChem CID: 146375819
• Molecular Formula: C65H43N5
• Molecular Weight: 894.09 g/mol
• Exact Mass: 893.35
• IUPAC Name: 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole
• SMILES: C=Cc1c(/C=C\C)c2cc3ccc(-n4c5ccccc5c5ccccc54)cc3cc2n1-c1cc(-c2nc3ccccc3nc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc2ccccc12
• InChI: InChI=1S/C65H43N5/c1-3-18-49-54-37-41-31-33-47(69-59-29-16-10-23-50(59)51-24-11-17-30-60(51)69)36-44(41)39-63(54)70(57(49)4-2)61-40-45(35-42-19-8-9-22-48(42)61)65-64(66-55-26-13-14-27-56(55)67-65)43-32-34-53-52-25-12-15-28-58(52)68(62(53)38-43)46-20-6-5-7-21-46/h3-40H,2H2,1H3/b18-3-
• InChIKey: BJJKQDVJSMSGKZ-ZUWFHJRGSA-N
• XLogP: 17.08
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.09
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole?

The IUPAC name of 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole (CID 146375819) is 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole.

What is the SMILES notation for 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole?

The canonical SMILES for 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole is C=Cc1c(/C=C\C)c2cc3ccc(-n4c5ccccc5c5ccccc54)cc3cc2n1-c1cc(-c2nc3ccccc3nc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc2ccccc12.

What is the InChIKey of 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole?

The InChIKey is BJJKQDVJSMSGKZ-ZUWFHJRGSA-N. The full InChI is InChI=1S/C65H43N5/c1-3-18-49-54-37-41-31-33-47(69-59-29-16-10-23-50(59)51-24-11-17-30-60(51)69)36-44(41)39-63(54)70(57(49)4-2)61-40-45(35-42-19-8-9-22-48(42)61)65-64(66-55-26-13-14-27-56(55)67-65)43-32-34-53-52-25-12-15-28-58(52)68(62(53)38-43)46-20-6-5-7-21-46/h3-40H,2H2,1H3/b18-3-.

What are the key properties of 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole?

7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole has a molecular weight of 894.09 g/mol, XLogP of 17.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole is sourced from PubChem (CID 146375819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).