6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole

C150H94N4 — CID 155335154

About 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole

6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole (PubChem CID 155335154) has the molecular formula C150H94N4 and a molecular weight of 1952.43 g/mol. Its IUPAC name is 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole
• PubChem CID: 155335154
• Molecular Formula: C150H94N4
• Molecular Weight: 1952.43 g/mol
• Exact Mass: 1950.75
• IUPAC Name: 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c6cccc(-c7ccc8c9cc(-c%10ccc(C%11(c%12ccccc%12)c%12ccccc%12-c%12cc(-c%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14cc%14c(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)cccc%13%14)ccc%12%11)cc%10)ccc9n(-c9ccccc9)c8c7)c6cc45)cc32)cc1
• InChI: InChI=1S/C150H94N4/c1-8-38-101(39-9-1)149(102-40-10-2-11-41-102)135-69-27-22-52-113(135)132-89-99(78-85-137(132)149)145-120-61-32-57-109(97-76-83-118-115-54-24-29-71-139(115)151(143(118)91-97)105-44-14-4-15-45-105)128(120)93-129-110(58-33-62-121(129)145)98-77-84-119-134-88-96(80-87-142(134)152(144(119)92-98)106-46-16-5-17-47-106)95-74-81-104(82-75-95)150(103-42-12-3-13-43-103)136-70-28-23-53-114(136)133-90-100(79-86-138(133)150)146-122-63-34-59-111(124-65-36-67-126-116-55-25-30-72-140(116)153(147(124)126)107-48-18-6-19-49-107)130(122)94-131-112(60-35-64-123(131)146)125-66-37-68-127-117-56-26-31-73-141(117)154(148(125)127)108-50-20-7-21-51-108/h1-94H
• InChIKey: AJDKTKWZHFZQLH-UHFFFAOYSA-N
• XLogP: 39.08
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1952.43
LogP ≤ 5	39.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole?

The IUPAC name of 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole (CID 155335154) is 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole.

What is the SMILES notation for 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole?

The canonical SMILES for 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c6cccc(-c7ccc8c9cc(-c%10ccc(C%11(c%12ccccc%12)c%12ccccc%12-c%12cc(-c%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14cc%14c(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)cccc%13%14)ccc%12%11)cc%10)ccc9n(-c9ccccc9)c8c7)c6cc45)cc32)cc1.

What is the InChIKey of 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole?

The InChIKey is AJDKTKWZHFZQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H94N4/c1-8-38-101(39-9-1)149(102-40-10-2-11-41-102)135-69-27-22-52-113(135)132-89-99(78-85-137(132)149)145-120-61-32-57-109(97-76-83-118-115-54-24-29-71-139(115)151(143(118)91-97)105-44-14-4-15-45-105)128(120)93-129-110(58-33-62-121(129)145)98-77-84-119-134-88-96(80-87-142(134)152(144(119)92-98)106-46-16-5-17-47-106)95-74-81-104(82-75-95)150(103-42-12-3-13-43-103)136-70-28-23-53-114(136)133-90-100(79-86-138(133)150)146-122-63-34-59-111(124-65-36-67-126-116-55-25-30-72-140(116)153(147(124)126)107-48-18-6-19-49-107)130(122)94-131-112(60-35-64-123(131)146)125-66-37-68-127-117-56-26-31-73-141(117)154(148(125)127)108-50-20-7-21-51-108/h1-94H.

What are the key properties of 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole?

6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole has a molecular weight of 1952.43 g/mol, XLogP of 39.08, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 155335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).