6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine

C129H102N6O6 — CID 175679337

About 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine

6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine (PubChem CID 175679337) has the molecular formula C129H102N6O6 and a molecular weight of 1832.27 g/mol. Its IUPAC name is 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine
• PubChem CID: 175679337
• Molecular Formula: C129H102N6O6
• Molecular Weight: 1832.27 g/mol
• Exact Mass: 1830.79
• IUPAC Name: 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine
• SMILES: COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)cc(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)c4)ccc2n3-c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C129H102N6O6/c1-127(2)115-22-16-13-19-103(115)106-58-40-94(76-118(106)127)130(85-28-46-97(136-7)47-29-85)91-43-64-124-112(73-91)109-70-79(25-61-121(109)133(124)88-34-52-100(139-10)53-35-88)82-67-83(80-26-62-122-110(71-80)113-74-92(44-65-125(113)134(122)89-36-54-101(140-11)55-37-89)131(86-30-48-98(137-8)49-31-86)95-41-59-107-104-20-14-17-23-116(104)128(3,4)119(107)77-95)69-84(68-82)81-27-63-123-111(72-81)114-75-93(45-66-126(114)135(123)90-38-56-102(141-12)57-39-90)132(87-32-50-99(138-9)51-33-87)96-42-60-108-105-21-15-18-24-117(105)129(5,6)120(108)78-96/h13-78H,1-12H3
• InChIKey: HMNVOODCPVWFOE-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 79.89 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.27
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine?

The IUPAC name of 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine (CID 175679337) is 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine.

What is the SMILES notation for 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine?

The canonical SMILES for 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)cc(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)c4)ccc2n3-c2ccc(OC)cc2)cc1.

What is the InChIKey of 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine?

The InChIKey is HMNVOODCPVWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H102N6O6/c1-127(2)115-22-16-13-19-103(115)106-58-40-94(76-118(106)127)130(85-28-46-97(136-7)47-29-85)91-43-64-124-112(73-91)109-70-79(25-61-121(109)133(124)88-34-52-100(139-10)53-35-88)82-67-83(80-26-62-122-110(71-80)113-74-92(44-65-125(113)134(122)89-36-54-101(140-11)55-37-89)131(86-30-48-98(137-8)49-31-86)95-41-59-107-104-20-14-17-23-116(104)128(3,4)119(107)77-95)69-84(68-82)81-27-63-123-111(72-81)114-75-93(45-66-126(114)135(123)90-38-56-102(141-12)57-39-90)132(87-32-50-99(138-9)51-33-87)96-42-60-108-105-21-15-18-24-117(105)129(5,6)120(108)78-96/h13-78H,1-12H3.

What are the key properties of 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine?

6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine has a molecular weight of 1832.27 g/mol, XLogP of 33.36, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-bis[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N,9-bis(4-methoxyphenyl)carbazol-3-amine is sourced from PubChem (CID 175679337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).