3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole

C126H84N4 — CID 129298687

About 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole

3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole (PubChem CID 129298687) has the molecular formula C126H84N4 and a molecular weight of 1654.09 g/mol. Its IUPAC name is 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
• PubChem CID: 129298687
• Molecular Formula: C126H84N4
• Molecular Weight: 1654.09 g/mol
• Exact Mass: 1652.67
• IUPAC Name: 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
• SMILES: C1=CC(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9cc(-c%11ccccc%11)ccc9n%10-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)ccc87)c6)c5)c4)ccc32)=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
• InChI: InChI=1S/C126H84N4/c1-7-28-83(29-8-1)95-54-60-123-115(77-95)117-81-99(58-64-125(117)129(123)109-48-26-44-93(75-109)105-69-101(85-32-11-3-12-33-85)67-102(70-105)86-34-13-4-14-35-86)97-56-62-121-113(79-97)111-50-19-21-52-119(111)127(121)107-46-24-42-91(73-107)89-40-23-41-90(66-89)92-43-25-47-108(74-92)128-120-53-22-20-51-112(120)114-80-98(57-63-122(114)128)100-59-65-126-118(82-100)116-78-96(84-30-9-2-10-31-84)55-61-124(116)130(126)110-49-27-45-94(76-110)106-71-103(87-36-15-5-16-37-87)68-104(72-106)88-38-17-6-18-39-88/h1-44,46-82,94H,45H2
• InChIKey: QJPHYUXCUZSMCL-UHFFFAOYSA-N
• XLogP: 34.01
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.09
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?

The IUPAC name of 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole (CID 129298687) is 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole.

What is the SMILES notation for 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?

The canonical SMILES for 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole is C1=CC(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9cc(-c%11ccccc%11)ccc9n%10-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)ccc87)c6)c5)c4)ccc32)=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1.

What is the InChIKey of 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?

The InChIKey is QJPHYUXCUZSMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H84N4/c1-7-28-83(29-8-1)95-54-60-123-115(77-95)117-81-99(58-64-125(117)129(123)109-48-26-44-93(75-109)105-69-101(85-32-11-3-12-33-85)67-102(70-105)86-34-13-4-14-35-86)97-56-62-121-113(79-97)111-50-19-21-52-119(111)127(121)107-46-24-42-91(73-107)89-40-23-41-90(66-89)92-43-25-47-108(74-92)128-120-53-22-20-51-112(120)114-80-98(57-63-122(114)128)100-59-65-126-118(82-100)116-78-96(84-30-9-2-10-31-84)55-61-124(116)130(126)110-49-27-45-94(76-110)106-71-103(87-36-15-5-16-37-87)68-104(72-106)88-38-17-6-18-39-88/h1-44,46-82,94H,45H2.

What are the key properties of 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?

3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole has a molecular weight of 1654.09 g/mol, XLogP of 34.01, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole is sourced from PubChem (CID 129298687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).