benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)

C217H278N8O4 — CID 160863641

IUPACbenzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccccc1.c1ccoc1
InChIInChI=1S/2C18H13N.C15H14.3C12H8O.6C12H10.C6H6.C4H4O.6C3H9N.15C2H6/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-4-5-3-1;6*1-4(2)3;15*1-2/h2*1-13H;3-10H,1-2H3;3*1-8H;6*1-10H;1-6H;1-4H;6*1-3H3;15*1-2H3
InChIKeySKUWGNJSUWARAP-UHFFFAOYSA-N
MW3062.66 g/mol
LogP63.87
Rot. Bonds8

About benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)

benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole) (PubChem CID 160863641) has the molecular formula C217H278N8O4 and a molecular weight of 3062.66 g/mol. Its IUPAC name is benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole).

Molecular Properties

Compound Namebenzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)
PubChem CID160863641
Molecular FormulaC217H278N8O4
Molecular Weight3062.66 g/mol
Exact Mass3060.18
IUPAC Namebenzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccccc1.c1ccoc1
InChIInChI=1S/2C18H13N.C15H14.3C12H8O.6C12H10.C6H6.C4H4O.6C3H9N.15C2H6/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-4-5-3-1;6*1-4(2)3;15*1-2/h2*1-13H;3-10H,1-2H3;3*1-8H;6*1-10H;1-6H;1-4H;6*1-3H3;15*1-2H3
InChIKeySKUWGNJSUWARAP-UHFFFAOYSA-N
XLogP63.87
TPSA81.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003062.66
LogP ≤ 563.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350

Frequently Asked Questions

What is the IUPAC name of benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)?
The IUPAC name of benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole) (CID 160863641) is benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole).
What is the SMILES notation for benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)?
The canonical SMILES for benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.CN(C)C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccccc1.c1ccoc1.
What is the InChIKey of benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)?
The InChIKey is SKUWGNJSUWARAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13N.C15H14.3C12H8O.6C12H10.C6H6.C4H4O.6C3H9N.15C2H6/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-4-5-3-1;6*1-4(2)3;15*1-2/h2*1-13H;3-10H,1-2H3;3*1-8H;6*1-10H;1-6H;1-4H;6*1-3H3;15*1-2H3.
What are the key properties of benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)?
benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole) has a molecular weight of 3062.66 g/mol, XLogP of 63.87, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole) is sourced from PubChem (CID 160863641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).