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

C108H87N5O5S — CID 164853834

IUPACN-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2cc(-c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)-c5ccccc5C6(C)C)c(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)s4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C108H87N5O5S/c1-106(2)95-23-17-14-20-85(95)88-60-75(38-53-96(88)106)111(70-30-45-80(116-9)46-31-70)103-65-104(66-24-54-99-89(58-66)91-61-73(39-56-101(91)112(99)71-32-47-81(117-10)48-33-71)109(68-26-41-78(114-7)42-27-68)76-36-51-86-83-18-12-15-21-93(83)107(3,4)97(86)63-76)119-105(103)67-25-55-100-90(59-67)92-62-74(40-57-102(92)113(100)72-34-49-82(118-11)50-35-72)110(69-28-43-79(115-8)44-29-69)77-37-52-87-84-19-13-16-22-94(84)108(5,6)98(87)64-77/h12-65H,1-11H3
InChIKeyUELRGMXHLUMCMH-UHFFFAOYSA-N
MW1566.98 g/mol
LogP28.65
Rot. Bonds18

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

N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine (PubChem CID 164853834) has the molecular formula C108H87N5O5S and a molecular weight of 1566.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine
PubChem CID164853834
Molecular FormulaC108H87N5O5S
Molecular Weight1566.98 g/mol
Exact Mass1565.64
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2cc(-c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)-c5ccccc5C6(C)C)c(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)s4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C108H87N5O5S/c1-106(2)95-23-17-14-20-85(95)88-60-75(38-53-96(88)106)111(70-30-45-80(116-9)46-31-70)103-65-104(66-24-54-99-89(58-66)91-61-73(39-56-101(91)112(99)71-32-47-81(117-10)48-33-71)109(68-26-41-78(114-7)42-27-68)76-36-51-86-83-18-12-15-21-93(83)107(3,4)97(86)63-76)119-105(103)67-25-55-100-90(59-67)92-62-74(40-57-102(92)113(100)72-34-49-82(118-11)50-35-72)110(69-28-43-79(115-8)44-29-69)77-37-52-87-84-19-13-16-22-94(84)108(5,6)98(87)64-77/h12-65H,1-11H3
InChIKeyUELRGMXHLUMCMH-UHFFFAOYSA-N
XLogP28.65
TPSA65.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001566.98
LogP ≤ 528.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

N-[4-[11-[4-[4-[5-[4-[N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-(1,2,2-trifluoroethenoxy)anilino]phenyl]benzo[a]carbazol-11-yl]-N-[4-[5-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(1,2,2-trifluoroethenoxy)anilino]phenyl]benzo[a]carbazol-11-yl]-4-methylcyclohexa-1,5-dien-1-yl]anilino]phenyl]benzo[a]carbazol-5-yl]phenyl]-9,9-dimethyl-N-[4-(1,2,2-trifluoroethenoxy)phenyl]fluoren-2-amine
CID 163484461
(e)-4-(5-(2-(9h-carbazol-9-yl)vinyl)thiophen-2-yl)-N,N-bis(4-methoxyphenyl)aniline
CID 168432047
6,6',6''-(benzene-1,3,5-triyl)tris(N-(9,9-dimethyl-9h-fluoren-2-yl)-N,9-bis(4-methoxyphenyl)-9h-carbazol-3-amine)
CID 175679337
2-[1-[4-[3-(1,3-Benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-2-phenylindol-3-yl]-1,3-benzothiazole
CID 21301869
2-[1-(4-Methoxyphenyl)-2-[9-(4-methoxyphenyl)carbazol-3-yl]indol-3-yl]-1,3-benzothiazole
CID 21301876
2-[2-[6-[3-(1,3-Benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]-9-(4-methoxyphenyl)carbazol-3-yl]-1-(4-methoxyphenyl)indol-3-yl]-1,3-benzothiazole
CID 21301878
N-[4-[3-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]-N-[4-[3-(1,3-benzothiazol-2-yl)-1-phenylindol-2-yl]phenyl]aniline
CID 21301880
2-[2-[4-(3,6-Ditert-butylcarbazol-9-yl)phenyl]-1-(4-methoxyphenyl)indol-3-yl]-1,3-benzothiazole
CID 21301882
3-[9,9-Bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole
CID 58620848
5,5',25,25'-Tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]
CID 58855012
N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 59171784
2-[1-(4-methoxyphenyl)-2-[9-(4-methoxyphenyl)-9H-fluoren-3-yl]indol-3-yl]-1,3-benzothiazole
CID 60062810

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine (CID 164853834) is N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2cc(-c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)-c5ccccc5C6(C)C)c(-c5ccc6c(c5)c5cc(N(c7ccc(OC)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)s4)ccc2n3-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine?
The InChIKey is UELRGMXHLUMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H87N5O5S/c1-106(2)95-23-17-14-20-85(95)88-60-75(38-53-96(88)106)111(70-30-45-80(116-9)46-31-70)103-65-104(66-24-54-99-89(58-66)91-61-73(39-56-101(91)112(99)71-32-47-81(117-10)48-33-71)109(68-26-41-78(114-7)42-27-68)76-36-51-86-83-18-12-15-21-93(83)107(3,4)97(86)63-76)119-105(103)67-25-55-100-90(59-67)92-62-74(40-57-102(92)113(100)72-34-49-82(118-11)50-35-72)110(69-28-43-79(115-8)44-29-69)77-37-52-87-84-19-13-16-22-94(84)108(5,6)98(87)64-77/h12-65H,1-11H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine has a molecular weight of 1566.98 g/mol, XLogP of 28.65, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-[4-(N-(9,9-dimethylfluoren-3-yl)-4-methoxyanilino)-5-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)-9-(4-methoxyphenyl)carbazol-3-yl]thiophen-2-yl]-N,9-bis(4-methoxyphenyl)carbazol-3-amine is sourced from PubChem (CID 164853834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).