3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline

C153H89N9S3-2 — CID 163858378

About 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline

3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 163858378) has the molecular formula C153H89N9S3-2 and a molecular weight of 2149.66 g/mol. Its IUPAC name is 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 163858378
• Molecular Formula: C153H89N9S3-2
• Molecular Weight: 2149.66 g/mol
• Exact Mass: 2147.64
• IUPAC Name: 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
• SMILES: C1=CC(c2ccccc2)[N-]c2c1ccc1ccc(-c3ccc(-c4nc5cc(-c6ccccc6)ccc5c5c4sc4cc(-c6cccc(C7C=Cc8ccc9ccc(-c%10ccc(-c%11nc%12c(-c%13ccc%14c%15ccccc%15c%15cc(-c%16cccc(-c%17ccc%18ccc%19ccc(-c%20cccc(-c%21nc%22c(-c%23ccc(-c%24ccccc%24)cc%23)cccc%22c%22c%21sc%21ccccc%21%22)c%20)nc%19c%18n%17)c%16)ccc%15c%14c%13)cccc%12c%12c%11sc%11ccccc%11%12)cc%10)nc9c8[N-]7)c6)ccc45)cc3)nc21
• InChI: InChI=1S/C153H89N9S3/c1-4-21-88(22-5-1)90-43-45-91(46-44-90)113-37-19-39-123-139-121-36-13-15-42-135(121)164-153(139)148(162-149(113)123)112-32-18-31-111(83-112)132-80-70-100-60-59-99-69-78-130(158-144(99)145(100)159-132)109-29-16-27-103(81-109)105-61-71-118-125(84-105)116-34-11-10-33-115(116)117-72-64-108(85-126(117)118)114-38-20-40-124-138-120-35-12-14-41-134(120)163-152(138)147(161-150(114)124)102-53-49-94(50-54-102)129-77-67-97-57-58-98-68-79-131(157-143(98)142(97)156-129)110-30-17-28-104(82-110)107-63-74-122-136(87-107)165-151-137(122)119-73-62-106(89-23-6-2-7-24-89)86-133(119)160-146(151)101-51-47-93(48-52-101)128-76-66-96-56-55-95-65-75-127(92-25-8-3-9-26-92)154-140(95)141(96)155-128/h1-87,127,131H/q-2
• InChIKey: PAIZFAAMDASQKE-UHFFFAOYSA-N
• XLogP: 43.30
• TPSA: 118.43 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2149.66
LogP ≤ 5	43.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The IUPAC name of 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 163858378) is 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

What is the SMILES notation for 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The canonical SMILES for 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline is C1=CC(c2ccccc2)[N-]c2c1ccc1ccc(-c3ccc(-c4nc5cc(-c6ccccc6)ccc5c5c4sc4cc(-c6cccc(C7C=Cc8ccc9ccc(-c%10ccc(-c%11nc%12c(-c%13ccc%14c%15ccccc%15c%15cc(-c%16cccc(-c%17ccc%18ccc%19ccc(-c%20cccc(-c%21nc%22c(-c%23ccc(-c%24ccccc%24)cc%23)cccc%22c%22c%21sc%21ccccc%21%22)c%20)nc%19c%18n%17)c%16)ccc%15c%14c%13)cccc%12c%12c%11sc%11ccccc%11%12)cc%10)nc9c8[N-]7)c6)ccc45)cc3)nc21.

What is the InChIKey of 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The InChIKey is PAIZFAAMDASQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C153H89N9S3/c1-4-21-88(22-5-1)90-43-45-91(46-44-90)113-37-19-39-123-139-121-36-13-15-42-135(121)164-153(139)148(162-149(113)123)112-32-18-31-111(83-112)132-80-70-100-60-59-99-69-78-130(158-144(99)145(100)159-132)109-29-16-27-103(81-109)105-61-71-118-125(84-105)116-34-11-10-33-115(116)117-72-64-108(85-126(117)118)114-38-20-40-124-138-120-35-12-14-41-134(120)163-152(138)147(161-150(114)124)102-53-49-94(50-54-102)129-77-67-97-57-58-98-68-79-131(157-143(98)142(97)156-129)110-30-17-28-104(82-110)107-63-74-122-136(87-107)165-151-137(122)119-73-62-106(89-23-6-2-7-24-89)86-133(119)160-146(151)101-51-47-93(48-52-101)128-76-66-96-56-55-95-65-75-127(92-25-8-3-9-26-92)154-140(95)141(96)155-128/h1-87,127,131H/q-2.

What are the key properties of 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2149.66 g/mol, XLogP of 43.30, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-6-[4-(9-phenyl-9H-1,10-phenanthrolin-10-id-2-yl)phenyl]-9-[3-[9-[4-[4-[10-[3-[9-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-[1]benzothiolo[2,3-c]quinolin-6-yl]phenyl]-2H-1,10-phenanthrolin-1-id-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 163858378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).