3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C174H111N3 — CID 59306581

About 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59306581) has the molecular formula C174H111N3 and a molecular weight of 2243.82 g/mol. Its IUPAC name is 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 59306581
• Molecular Formula: C174H111N3
• Molecular Weight: 2243.82 g/mol
• Exact Mass: 2241.88
• IUPAC Name: 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C174H111N3/c1-10-40-114(41-11-1)169-145-62-28-30-64-147(145)170(148-65-31-29-63-146(148)169)115-74-90-136(91-75-115)177-163-96-80-116(112-70-86-134(87-71-112)175-165-98-82-118(122-76-92-141-137-58-32-36-66-155(137)171(159(141)108-122,126-42-12-2-13-43-126)127-44-14-3-15-45-127)104-151(165)152-105-119(83-99-166(152)175)123-77-93-142-138-59-33-37-67-156(138)172(160(142)109-123,128-46-16-4-17-47-128)129-48-18-5-19-49-129)102-149(163)150-103-117(81-97-164(150)177)113-72-88-135(89-73-113)176-167-100-84-120(124-78-94-143-139-60-34-38-68-157(139)173(161(143)110-124,130-50-20-6-21-51-130)131-52-22-7-23-53-131)106-153(167)154-107-121(85-101-168(154)176)125-79-95-144-140-61-35-39-69-158(140)174(162(144)111-125,132-54-24-8-25-55-132)133-56-26-9-27-57-133/h1-111H
• InChIKey: LWALXDSQEKXNIN-UHFFFAOYSA-N
• XLogP: 44.07
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2243.82
LogP ≤ 5	44.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59306581) is 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)cc8c8cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is LWALXDSQEKXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H111N3/c1-10-40-114(41-11-1)169-145-62-28-30-64-147(145)170(148-65-31-29-63-146(148)169)115-74-90-136(91-75-115)177-163-96-80-116(112-70-86-134(87-71-112)175-165-98-82-118(122-76-92-141-137-58-32-36-66-155(137)171(159(141)108-122,126-42-12-2-13-43-126)127-44-14-3-15-45-127)104-151(165)152-105-119(83-99-166(152)175)123-77-93-142-138-59-33-37-67-156(138)172(160(142)109-123,128-46-16-4-17-47-128)129-48-18-5-19-49-129)102-149(163)150-103-117(81-97-164(150)177)113-72-88-135(89-73-113)176-167-100-84-120(124-78-94-143-139-60-34-38-68-157(139)173(161(143)110-124,130-50-20-6-21-51-130)131-52-22-7-23-53-131)106-153(167)154-107-121(85-101-168(154)176)125-79-95-144-140-61-35-39-69-158(140)174(162(144)111-125,132-54-24-8-25-55-132)133-56-26-9-27-57-133/h1-111H.

What are the key properties of 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 2243.82 g/mol, XLogP of 44.07, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59306581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).