3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole

C145H138N4 — CID 59404178

IUPAC3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C5(c6ccc7c(c6)c6cc(C8(c9ccc%10c(c9)c9cc(C)ccc9n%10-c9ccc(C(C)(C)C)cc9)c9ccccc9-c9ccccc98)ccc6n7-c6ccc(-c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C145H138N4/c1-17-19-21-23-25-35-81-143(82-36-26-24-22-20-18-2)129-84-94(4)45-71-115(129)116-72-51-98(86-130(116)143)97-52-74-132-118(85-97)122-90-104(60-78-136(122)149(132)110-69-55-100(56-70-110)140(8,9)10)145(127-43-33-29-39-113(127)114-40-30-34-44-128(114)145)106-62-80-138-124(92-106)123-91-105(61-79-137(123)147(138)108-65-49-96(50-66-108)95-47-63-107(64-48-95)146-133-75-57-101(141(11,12)13)87-119(133)120-88-102(142(14,15)16)58-76-134(120)146)144(125-41-31-27-37-111(125)112-38-28-32-42-126(112)144)103-59-77-135-121(89-103)117-83-93(3)46-73-131(117)148(135)109-67-53-99(54-68-109)139(5,6)7/h27-34,37-80,83-92H,17-26,35-36,81-82H2,1-16H3
InChIKeyQKQFPPKSGBUSBK-UHFFFAOYSA-N
MW1936.73 g/mol
LogP39.71
Rot. Bonds24

About 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole

3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole (PubChem CID 59404178) has the molecular formula C145H138N4 and a molecular weight of 1936.73 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
PubChem CID59404178
Molecular FormulaC145H138N4
Molecular Weight1936.73 g/mol
Exact Mass1935.09
IUPAC Name3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C5(c6ccc7c(c6)c6cc(C8(c9ccc%10c(c9)c9cc(C)ccc9n%10-c9ccc(C(C)(C)C)cc9)c9ccccc9-c9ccccc98)ccc6n7-c6ccc(-c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C145H138N4/c1-17-19-21-23-25-35-81-143(82-36-26-24-22-20-18-2)129-84-94(4)45-71-115(129)116-72-51-98(86-130(116)143)97-52-74-132-118(85-97)122-90-104(60-78-136(122)149(132)110-69-55-100(56-70-110)140(8,9)10)145(127-43-33-29-39-113(127)114-40-30-34-44-128(114)145)106-62-80-138-124(92-106)123-91-105(61-79-137(123)147(138)108-65-49-96(50-66-108)95-47-63-107(64-48-95)146-133-75-57-101(141(11,12)13)87-119(133)120-88-102(142(14,15)16)58-76-134(120)146)144(125-41-31-27-37-111(125)112-38-28-32-42-126(112)144)103-59-77-135-121(89-103)117-83-93(3)46-73-131(117)148(135)109-67-53-99(54-68-109)139(5,6)7/h27-34,37-80,83-92H,17-26,35-36,81-82H2,1-16H3
InChIKeyQKQFPPKSGBUSBK-UHFFFAOYSA-N
XLogP39.71
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001936.73
LogP ≤ 539.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-[9-[9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]-9-(4-tert-butylphenyl)-6-phenylcarbazole
CID 59561645
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
3-(4-tert-butylphenyl)-5-[4-[7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101482227
9-[7-[4,6-bis[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]-1,3,5-triazin-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-ditert-butylcarbazole
CID 132570017
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
(4-methylphenyl)-[4-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-phenyl-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 123637096
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
N-(4-tert-butylphenyl)-N-[4-[10-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl]phenyl]-4-methylaniline
CID 153472822
9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
CID 139501194
2-(4-tert-butylphenyl)-5-[4-[7-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]-1,3,4-oxadiazole
CID 102451900

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole (CID 59404178) is 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)c3cc(C5(c6ccc7c(c6)c6cc(C8(c9ccc%10c(c9)c9cc(C)ccc9n%10-c9ccc(C(C)(C)C)cc9)c9ccccc9-c9ccccc98)ccc6n7-c6ccc(-c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)cc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole?
The InChIKey is QKQFPPKSGBUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H138N4/c1-17-19-21-23-25-35-81-143(82-36-26-24-22-20-18-2)129-84-94(4)45-71-115(129)116-72-51-98(86-130(116)143)97-52-74-132-118(85-97)122-90-104(60-78-136(122)149(132)110-69-55-100(56-70-110)140(8,9)10)145(127-43-33-29-39-113(127)114-40-30-34-44-128(114)145)106-62-80-138-124(92-106)123-91-105(61-79-137(123)147(138)108-65-49-96(50-66-108)95-47-63-107(64-48-95)146-133-75-57-101(141(11,12)13)87-119(133)120-88-102(142(14,15)16)58-76-134(120)146)144(125-41-31-27-37-111(125)112-38-28-32-42-126(112)144)103-59-77-135-121(89-103)117-83-93(3)46-73-131(117)148(135)109-67-53-99(54-68-109)139(5,6)7/h27-34,37-80,83-92H,17-26,35-36,81-82H2,1-16H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole has a molecular weight of 1936.73 g/mol, XLogP of 39.71, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59404178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).