2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine

C254H320N12 — CID 158148948

IUPAC2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C145H200N6.C109H120N6/c1-37-39-41-43-51-57-79-145(80-58-52-44-42-40-38-2)129-97-131(146(35)81-59-53-47-45-49-55-61-113-63-67-121(68-64-113)148(133-101(5)83-115(84-102(133)6)139(17,18)19)123-71-75-125(76-72-123)150(135-105(9)87-117(88-106(135)10)141(23,24)25)136-107(11)89-118(90-108(136)12)142(26,27)28)99(3)95-127(129)128-96-100(4)132(98-130(128)145)147(36)82-60-54-48-46-50-56-62-114-65-69-122(70-66-114)149(134-103(7)85-116(86-104(134)8)140(20,21)22)124-73-77-126(78-74-124)151(137-109(13)91-119(92-110(137)14)143(29,30)31)138-111(15)93-120(94-112(138)16)144(32,33)34;1-7-9-11-13-21-39-69-109(70-40-22-14-12-10-8-2)97-77-107(110(5)71-41-23-17-15-19-25-43-81-57-67-105-95(75-81)91-49-31-37-55-103(91)114(105)85-63-59-83(60-64-85)112-99-51-33-27-45-87(99)88-46-28-34-52-100(88)112)79(3)73-93(97)94-74-80(4)108(78-98(94)109)111(6)72-42-24-18-16-20-26-44-82-58-68-106-96(76-82)92-50-32-38-56-104(92)115(106)86-65-61-84(62-66-86)113-101-53-35-29-47-89(101)90-48-30-36-54-102(90)113/h63-78,83-98H,37-62,79-82H2,1-36H3;27-38,45-68,73-78H,7-26,39-44,69-72H2,1-6H3
InChIKeyFUVZSEVUKGOPKH-UHFFFAOYSA-N
MW3541.44 g/mol
LogP73.97
Rot. Bonds84

About 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine

2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine (PubChem CID 158148948) has the molecular formula C254H320N12 and a molecular weight of 3541.44 g/mol. Its IUPAC name is 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine
PubChem CID158148948
Molecular FormulaC254H320N12
Molecular Weight3541.44 g/mol
Exact Mass3538.54
IUPAC Name2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C145H200N6.C109H120N6/c1-37-39-41-43-51-57-79-145(80-58-52-44-42-40-38-2)129-97-131(146(35)81-59-53-47-45-49-55-61-113-63-67-121(68-64-113)148(133-101(5)83-115(84-102(133)6)139(17,18)19)123-71-75-125(76-72-123)150(135-105(9)87-117(88-106(135)10)141(23,24)25)136-107(11)89-118(90-108(136)12)142(26,27)28)99(3)95-127(129)128-96-100(4)132(98-130(128)145)147(36)82-60-54-48-46-50-56-62-114-65-69-122(70-66-114)149(134-103(7)85-116(86-104(134)8)140(20,21)22)124-73-77-126(78-74-124)151(137-109(13)91-119(92-110(137)14)143(29,30)31)138-111(15)93-120(94-112(138)16)144(32,33)34;1-7-9-11-13-21-39-69-109(70-40-22-14-12-10-8-2)97-77-107(110(5)71-41-23-17-15-19-25-43-81-57-67-105-95(75-81)91-49-31-37-55-103(91)114(105)85-63-59-83(60-64-85)112-99-51-33-27-45-87(99)88-46-28-34-52-100(88)112)79(3)73-93(97)94-74-80(4)108(78-98(94)109)111(6)72-42-24-18-16-20-26-44-82-58-68-106-96(76-82)92-50-32-38-56-104(92)115(106)86-65-61-84(62-66-86)113-101-53-35-29-47-89(101)90-48-30-36-54-102(90)113/h63-78,83-98H,37-62,79-82H2,1-36H3;27-38,45-68,73-78H,7-26,39-44,69-72H2,1-6H3
InChIKeyFUVZSEVUKGOPKH-UHFFFAOYSA-N
XLogP73.97
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds84
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003541.44
LogP ≤ 573.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine (CID 158148948) is 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc(N(c4ccc(N(c5c(C)cc(C(C)(C)C)cc5C)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc2-c2cc(C)c(N(C)CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is FUVZSEVUKGOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H200N6.C109H120N6/c1-37-39-41-43-51-57-79-145(80-58-52-44-42-40-38-2)129-97-131(146(35)81-59-53-47-45-49-55-61-113-63-67-121(68-64-113)148(133-101(5)83-115(84-102(133)6)139(17,18)19)123-71-75-125(76-72-123)150(135-105(9)87-117(88-106(135)10)141(23,24)25)136-107(11)89-118(90-108(136)12)142(26,27)28)99(3)95-127(129)128-96-100(4)132(98-130(128)145)147(36)82-60-54-48-46-50-56-62-114-65-69-122(70-66-114)149(134-103(7)85-116(86-104(134)8)140(20,21)22)124-73-77-126(78-74-124)151(137-109(13)91-119(92-110(137)14)143(29,30)31)138-111(15)93-120(94-112(138)16)144(32,33)34;1-7-9-11-13-21-39-69-109(70-40-22-14-12-10-8-2)97-77-107(110(5)71-41-23-17-15-19-25-43-81-57-67-105-95(75-81)91-49-31-37-55-103(91)114(105)85-63-59-83(60-64-85)112-99-51-33-27-45-87(99)88-46-28-34-52-100(88)112)79(3)73-93(97)94-74-80(4)108(78-98(94)109)111(6)72-42-24-18-16-20-26-44-82-58-68-106-96(76-82)92-50-32-38-56-104(92)115(106)86-65-61-84(62-66-86)113-101-53-35-29-47-89(101)90-48-30-36-54-102(90)113/h63-78,83-98H,37-62,79-82H2,1-36H3;27-38,45-68,73-78H,7-26,39-44,69-72H2,1-6H3.
What are the key properties of 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine?
2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 3541.44 g/mol, XLogP of 73.97, 84 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 158148948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).