9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole

C49H34N2 — CID 121287743

IUPAC9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)42-22-10-5-21-40(42)48-39-20-4-3-15-34(39)41(30-43(48)49)31-27-32(50-44-23-11-6-16-35(44)36-17-7-12-24-45(36)50)29-33(28-31)51-46-25-13-8-18-37(46)38-19-9-14-26-47(38)51/h3-30H,1-2H3
InChIKeyBIOAKZNTGRDSCH-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.01
Rot. Bonds3

About 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole (PubChem CID 121287743) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
PubChem CID121287743
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)42-22-10-5-21-40(42)48-39-20-4-3-15-34(39)41(30-43(48)49)31-27-32(50-44-23-11-6-16-35(44)36-17-7-12-24-45(36)50)29-33(28-31)51-46-25-13-8-18-37(46)38-19-9-14-26-47(38)51/h3-30H,1-2H3
InChIKeyBIOAKZNTGRDSCH-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
4-(7,7-dimethylbenzo[c]fluoren-5-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411777
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine
CID 163717991
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
9-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]carbazole
CID 89002353
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
7,7,12-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 134235778

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole (CID 121287743) is 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c1cc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole?
The InChIKey is BIOAKZNTGRDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)42-22-10-5-21-40(42)48-39-20-4-3-15-34(39)41(30-43(48)49)31-27-32(50-44-23-11-6-16-35(44)36-17-7-12-24-45(36)50)29-33(28-31)51-46-25-13-8-18-37(46)38-19-9-14-26-47(38)51/h3-30H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole has a molecular weight of 650.83 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole is sourced from PubChem (CID 121287743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).