3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

C206H127N9 — CID 159155046

About 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159155046) has the molecular formula C206H127N9 and a molecular weight of 2728.34 g/mol. Its IUPAC name is 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 159155046
• Molecular Formula: C206H127N9
• Molecular Weight: 2728.34 g/mol
• Exact Mass: 2726.02
• IUPAC Name: 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6cc(-c7ccc8cc(-c9cccc(-c%10cnc%11c%12ccccc%12c%12ccccc%12c%11n%10)c9)ccc8c7)ccc6c5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc(-c6ccc7cc(-c8ccc9cc(-c%10cccc(-c%11cnc%12c%13ccccc%13c%13ccccc%13c%12n%11)c%10)ccc9c8)ccc7c6)ccc5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6cccc7c(-c8cccc9c(-c%10cccc(-c%11cnc%12c%13ccccc%13c%13ccccc%13c%12n%11)c%10)cccc89)cccc67)cccc45)cc32)cc1
• InChI: InChI=1S/2C70H43N3.C66H41N3/c1-2-19-47(20-3-1)73-67-38-9-8-23-62(67)63-40-39-45(42-68(63)73)49-27-12-31-53-51(49)29-14-33-55(53)57-35-16-36-58-56(34-15-37-59(57)58)54-32-13-28-50-48(26-11-30-52(50)54)44-17-10-18-46(41-44)66-43-71-69-64-24-6-4-21-60(64)61-22-5-7-25-65(61)70(69)72-66;1-2-13-59(14-3-1)73-67-20-9-8-17-62(67)63-34-33-57(42-68(63)73)56-32-31-54-39-53(29-30-55(54)40-56)52-28-27-50-37-49(25-26-51(50)38-52)48-24-23-46-35-45(21-22-47(46)36-48)44-11-10-12-58(41-44)66-43-71-69-64-18-6-4-15-60(64)61-16-5-7-19-65(61)70(69)72-66;1-2-13-55(14-3-1)69-63-20-9-8-17-58(63)59-34-33-53(40-64(59)69)43-23-21-42(22-24-43)45-25-26-48-37-51(30-29-47(48)35-45)52-32-31-49-36-46(27-28-50(49)38-52)44-11-10-12-54(39-44)62-41-67-65-60-18-6-4-15-56(60)57-16-5-7-19-61(57)66(65)68-62/h2*1-43H;1-41H
• InChIKey: KJTZFFKLWZGZME-UHFFFAOYSA-N
• XLogP: 55.33
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2728.34
LogP ≤ 5	55.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 159155046) is 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6cc(-c7ccc8cc(-c9cccc(-c%10cnc%11c%12ccccc%12c%12ccccc%12c%11n%10)c9)ccc8c7)ccc6c5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc(-c6ccc7cc(-c8ccc9cc(-c%10cccc(-c%11cnc%12c%13ccccc%13c%13ccccc%13c%12n%11)c%10)ccc9c8)ccc7c6)ccc5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6cccc7c(-c8cccc9c(-c%10cccc(-c%11cnc%12c%13ccccc%13c%13ccccc%13c%12n%11)c%10)cccc89)cccc67)cccc45)cc32)cc1.

What is the InChIKey of 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is KJTZFFKLWZGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H43N3.C66H41N3/c1-2-19-47(20-3-1)73-67-38-9-8-23-62(67)63-40-39-45(42-68(63)73)49-27-12-31-53-51(49)29-14-33-55(53)57-35-16-36-58-56(34-15-37-59(57)58)54-32-13-28-50-48(26-11-30-52(50)54)44-17-10-18-46(41-44)66-43-71-69-64-24-6-4-21-60(64)61-22-5-7-25-65(61)70(69)72-66;1-2-13-59(14-3-1)73-67-20-9-8-17-62(67)63-34-33-57(42-68(63)73)56-32-31-54-39-53(29-30-55(54)40-56)52-28-27-50-37-49(25-26-51(50)38-52)48-24-23-46-35-45(21-22-47(46)36-48)44-11-10-12-58(41-44)66-43-71-69-64-18-6-4-15-60(64)61-16-5-7-19-65(61)70(69)72-66;1-2-13-55(14-3-1)69-63-20-9-8-17-58(63)59-34-33-53(40-64(59)69)43-23-21-42(22-24-43)45-25-26-48-37-51(30-29-47(48)35-45)52-32-31-49-36-46(27-28-50(49)38-52)44-11-10-12-54(39-44)62-41-67-65-60-18-6-4-15-56(60)57-16-5-7-19-61(57)66(65)68-62/h2*1-43H;1-41H.

What are the key properties of 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2728.34 g/mol, XLogP of 55.33, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159155046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).