tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline

C228H186N10 — CID 160900828

IUPACtris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
SMILESCCCCC(CC)Cn1c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)cc3)cc2c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C135H120N4.3C31H22N2/c1-7-13-37-91(10-4)88-136-127-76-64-97(82-115(127)118-85-103(67-79-130(118)136)133(100-40-19-16-20-41-100)121-52-31-25-46-109(121)110-47-26-32-53-122(110)133)94-58-70-106(71-59-94)139(107-72-60-95(61-73-107)98-65-77-128-116(83-98)119-86-104(68-80-131(119)137(128)89-92(11-5)38-14-8-2)134(101-42-21-17-22-43-101)123-54-33-27-48-111(123)112-49-28-34-55-124(112)134)108-74-62-96(63-75-108)99-66-78-129-117(84-99)120-87-105(69-81-132(120)138(129)90-93(12-6)39-15-9-3)135(102-44-23-18-24-45-102)125-56-35-29-50-113(125)114-51-30-36-57-126(114)135;3*1-21-18-22(32-28-14-6-2-10-24(28)25-11-3-7-15-29(25)32)20-23(19-21)33-30-16-8-4-12-26(30)27-13-5-9-17-31(27)33/h16-36,40-87,91-93H,7-15,37-39,88-90H2,1-6H3;3*2-20H,1H3
InChIKeySPMAZAFWZCFQSF-UHFFFAOYSA-N
MW3066.07 g/mol
LogP60.79
Rot. Bonds36

About tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline

tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline (PubChem CID 160900828) has the molecular formula C228H186N10 and a molecular weight of 3066.07 g/mol. Its IUPAC name is tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Nametris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
PubChem CID160900828
Molecular FormulaC228H186N10
Molecular Weight3066.07 g/mol
Exact Mass3063.49
IUPAC Nametris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
SMILESCCCCC(CC)Cn1c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)cc3)cc2c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C135H120N4.3C31H22N2/c1-7-13-37-91(10-4)88-136-127-76-64-97(82-115(127)118-85-103(67-79-130(118)136)133(100-40-19-16-20-41-100)121-52-31-25-46-109(121)110-47-26-32-53-122(110)133)94-58-70-106(71-59-94)139(107-72-60-95(61-73-107)98-65-77-128-116(83-98)119-86-104(68-80-131(119)137(128)89-92(11-5)38-14-8-2)134(101-42-21-17-22-43-101)123-54-33-27-48-111(123)112-49-28-34-55-124(112)134)108-74-62-96(63-75-108)99-66-78-129-117(84-99)120-87-105(69-81-132(120)138(129)90-93(12-6)39-15-9-3)135(102-44-23-18-24-45-102)125-56-35-29-50-113(125)114-51-30-36-57-126(114)135;3*1-21-18-22(32-28-14-6-2-10-24(28)25-11-3-7-15-29(25)32)20-23(19-21)33-30-16-8-4-12-26(30)27-13-5-9-17-31(27)33/h16-36,40-87,91-93H,7-15,37-39,88-90H2,1-6H3;3*2-20H,1H3
InChIKeySPMAZAFWZCFQSF-UHFFFAOYSA-N
XLogP60.79
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms238
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003066.07
LogP ≤ 560.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline
CID 59404168
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-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404159
3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole
CID 59561667
3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)
CID 158708477
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]-N,N-bis[4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 59561697
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215

Frequently Asked Questions

What is the IUPAC name of tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline?
The IUPAC name of tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline (CID 160900828) is tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline?
The canonical SMILES for tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline is CCCCC(CC)Cn1c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)c4ccc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6CC(CC)CCCC)cc4)cc3)cc2c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline?
The InChIKey is SPMAZAFWZCFQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H120N4.3C31H22N2/c1-7-13-37-91(10-4)88-136-127-76-64-97(82-115(127)118-85-103(67-79-130(118)136)133(100-40-19-16-20-41-100)121-52-31-25-46-109(121)110-47-26-32-53-122(110)133)94-58-70-106(71-59-94)139(107-72-60-95(61-73-107)98-65-77-128-116(83-98)119-86-104(68-80-131(119)137(128)89-92(11-5)38-14-8-2)134(101-42-21-17-22-43-101)123-54-33-27-48-111(123)112-49-28-34-55-124(112)134)108-74-62-96(63-75-108)99-66-78-129-117(84-99)120-87-105(69-81-132(120)138(129)90-93(12-6)39-15-9-3)135(102-44-23-18-24-45-102)125-56-35-29-50-113(125)114-51-30-36-57-126(114)135;3*1-21-18-22(32-28-14-6-2-10-24(28)25-11-3-7-15-29(25)32)20-23(19-21)33-30-16-8-4-12-26(30)27-13-5-9-17-31(27)33/h16-36,40-87,91-93H,7-15,37-39,88-90H2,1-6H3;3*2-20H,1H3.
What are the key properties of tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline?
tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline has a molecular weight of 3066.07 g/mol, XLogP of 60.79, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 160900828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).