4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane

C130H174N4 — CID 160998425

IUPAC4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CCN(CC)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H26N2.2C25H18.C22H22N2.15C2H6/c1-3-29(4-2)23-17-13-21(14-18-23)22-15-19-24(20-16-22)30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30;2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-23(4-2)17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)20-10-6-8-12-22(20)24;15*1-2/h5-20H,3-4H2,1-2H3;2*1-18H;5-16H,3-4H2,1-2H3;15*1-2H3
InChIKeyTVNYNFLGJKTPRO-UHFFFAOYSA-N
MW1792.85 g/mol
LogP40.42
Rot. Bonds13

About 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane

4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane (PubChem CID 160998425) has the molecular formula C130H174N4 and a molecular weight of 1792.85 g/mol. Its IUPAC name is 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane.

Molecular Properties

Compound Name4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane
PubChem CID160998425
Molecular FormulaC130H174N4
Molecular Weight1792.85 g/mol
Exact Mass1791.37
IUPAC Name4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CCN(CC)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H26N2.2C25H18.C22H22N2.15C2H6/c1-3-29(4-2)23-17-13-21(14-18-23)22-15-19-24(20-16-22)30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30;2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-23(4-2)17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)20-10-6-8-12-22(20)24;15*1-2/h5-20H,3-4H2,1-2H3;2*1-18H;5-16H,3-4H2,1-2H3;15*1-2H3
InChIKeyTVNYNFLGJKTPRO-UHFFFAOYSA-N
XLogP40.42
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001792.85
LogP ≤ 540.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
CID 159780690
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane?
The IUPAC name of 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane (CID 160998425) is 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane.
What is the SMILES notation for 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane?
The canonical SMILES for 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CCN(CC)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane?
The InChIKey is TVNYNFLGJKTPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2.2C25H18.C22H22N2.15C2H6/c1-3-29(4-2)23-17-13-21(14-18-23)22-15-19-24(20-16-22)30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30;2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-23(4-2)17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)20-10-6-8-12-22(20)24;15*1-2/h5-20H,3-4H2,1-2H3;2*1-18H;5-16H,3-4H2,1-2H3;15*1-2H3.
What are the key properties of 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane?
4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane has a molecular weight of 1792.85 g/mol, XLogP of 40.42, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane is sourced from PubChem (CID 160998425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).