1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole

C149H87N15 — CID 155477360

About 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole

1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 155477360) has the molecular formula C149H87N15 and a molecular weight of 2087.44 g/mol. Its IUPAC name is 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

• Compound Name: 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole
• PubChem CID: 155477360
• Molecular Formula: C149H87N15
• Molecular Weight: 2087.44 g/mol
• Exact Mass: 2085.73
• IUPAC Name: 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cc(-c4cccc5c4c4ccccc4n5-c4cccc5c4c4cc6ccccc6cc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc4ccccc34)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6cc(-c7ccc8ccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-n%10c%11ccccc%11c%11cc%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12cc%11%10)n9)cc8c7)ccc65)c5ccccc5cc43)n2)cc1
• InChI: InChI=1S/C149H87N15/c1-2-35-92(36-3-1)141-151-146(122-84-105(78-99-40-10-14-46-109(99)122)110-54-30-63-131-137(110)118-52-20-26-61-128(118)160(131)132-64-31-65-133-138(132)123-82-94-38-6-7-39-95(94)85-135(123)164(133)149-156-144(116-55-28-42-90-33-8-12-44-107(90)116)152-145(157-149)117-56-29-43-91-34-9-13-45-108(91)117)158-148(153-141)163-129-62-27-21-53-119(129)139-136(163)87-100-41-11-15-47-111(100)140(139)161-126-59-24-18-50-114(126)120-81-97(73-75-130(120)161)96-69-66-89-68-71-102(79-103(89)77-96)143-150-142(101-70-67-88-32-4-5-37-93(88)76-101)154-147(155-143)162-127-60-25-19-51-115(127)121-83-104-80-106(74-72-98(104)86-134(121)162)159-124-57-22-16-48-112(124)113-49-17-23-58-125(113)159/h1-87H
• InChIKey: XINNYMRZPRNXLV-UHFFFAOYSA-N
• XLogP: 37.39
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.44
LogP ≤ 5	37.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole?

The IUPAC name of 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 155477360) is 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole.

What is the SMILES notation for 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole?

The canonical SMILES for 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-c4cccc5c4c4ccccc4n5-c4cccc5c4c4cc6ccccc6cc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc4ccccc34)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6cc(-c7ccc8ccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-n%10c%11ccccc%11c%11cc%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12cc%11%10)n9)cc8c7)ccc65)c5ccccc5cc43)n2)cc1.

What is the InChIKey of 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole?

The InChIKey is XINNYMRZPRNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H87N15/c1-2-35-92(36-3-1)141-151-146(122-84-105(78-99-40-10-14-46-109(99)122)110-54-30-63-131-137(110)118-52-20-26-61-128(118)160(131)132-64-31-65-133-138(132)123-82-94-38-6-7-39-95(94)85-135(123)164(133)149-156-144(116-55-28-42-90-33-8-12-44-107(90)116)152-145(157-149)117-56-29-43-91-34-9-13-45-108(91)117)158-148(153-141)163-129-62-27-21-53-119(129)139-136(163)87-100-41-11-15-47-111(100)140(139)161-126-59-24-18-50-114(126)120-81-97(73-75-130(120)161)96-69-66-89-68-71-102(79-103(89)77-96)143-150-142(101-70-67-88-32-4-5-37-93(88)76-101)154-147(155-143)162-127-60-25-19-51-115(127)121-83-104-80-106(74-72-98(104)86-134(121)162)159-124-57-22-16-48-112(124)113-49-17-23-58-125(113)159/h1-87H.

What are the key properties of 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole?

1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 2087.44 g/mol, XLogP of 37.39, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-[11-[3-[7-[4-(9-carbazol-9-ylbenzo[b]carbazol-5-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]benzo[b]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazol-9-yl]-5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 155477360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).