1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole

C111H75N9 — CID 159435151

IUPAC1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole
SMILESCn1c2c(-n3c4ccccc4c4ccccc43)cccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.Cn1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/3C37H25N3/c1-38-36-28(16-10-22-34(36)39-30-18-6-2-12-24(30)25-13-3-7-19-31(25)39)29-17-11-23-35(37(29)38)40-32-20-8-4-14-26(32)27-15-5-9-21-33(27)40;1-38-32-20-18-24(39-34-14-6-2-10-26(34)27-11-3-7-15-35(27)39)22-30(32)31-23-25(19-21-33(31)38)40-36-16-8-4-12-28(36)29-13-5-9-17-37(29)40;1-38-36-22-24(39-32-14-6-2-10-26(32)27-11-3-7-15-33(27)39)18-20-30(36)31-21-19-25(23-37(31)38)40-34-16-8-4-12-28(34)29-13-5-9-17-35(29)40/h3*2-23H,1H3
InChIKeyLRMHWTDZYVJPBZ-UHFFFAOYSA-N
MW1534.88 g/mol
LogP28.58
Rot. Bonds6

About 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole

1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole (PubChem CID 159435151) has the molecular formula C111H75N9 and a molecular weight of 1534.88 g/mol. Its IUPAC name is 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole.

Molecular Properties

Compound Name1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole
PubChem CID159435151
Molecular FormulaC111H75N9
Molecular Weight1534.88 g/mol
Exact Mass1533.61
IUPAC Name1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole
SMILESCn1c2c(-n3c4ccccc4c4ccccc43)cccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.Cn1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/3C37H25N3/c1-38-36-28(16-10-22-34(36)39-30-18-6-2-12-24(30)25-13-3-7-19-31(25)39)29-17-11-23-35(37(29)38)40-32-20-8-4-14-26(32)27-15-5-9-21-33(27)40;1-38-32-20-18-24(39-34-14-6-2-10-26(34)27-11-3-7-15-35(27)39)22-30(32)31-23-25(19-21-33(31)38)40-36-16-8-4-12-28(36)29-13-5-9-17-37(29)40;1-38-36-22-24(39-32-14-6-2-10-26(32)27-11-3-7-15-33(27)39)18-20-30(36)31-21-19-25(23-37(31)38)40-34-16-8-4-12-28(34)29-13-5-9-17-35(29)40/h3*2-23H,1H3
InChIKeyLRMHWTDZYVJPBZ-UHFFFAOYSA-N
XLogP28.58
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.88
LogP ≤ 528.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-(5-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-carbazol-9-yl-9-(9-methylcarbazol-2-yl)carbazole;1,6-di(carbazol-9-yl)-9-methylcarbazole;4,5-di(carbazol-9-yl)-9-methylcarbazole
CID 158024568
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
7-methyl-5-[9-[3-(3-phenylphenyl)phenyl]carbazol-1-yl]indolo[2,3-b]carbazole;7-methyl-5-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]indolo[2,3-b]carbazole;5-methyl-12-[9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]indolo[3,2-c]carbazole
CID 159989591
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734

Frequently Asked Questions

What is the IUPAC name of 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole?
The IUPAC name of 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole (CID 159435151) is 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole.
What is the SMILES notation for 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole?
The canonical SMILES for 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole is Cn1c2c(-n3c4ccccc4c4ccccc43)cccc2c2cccc(-n3c4ccccc4c4ccccc43)c21.Cn1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole?
The InChIKey is LRMHWTDZYVJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H25N3/c1-38-36-28(16-10-22-34(36)39-30-18-6-2-12-24(30)25-13-3-7-19-31(25)39)29-17-11-23-35(37(29)38)40-32-20-8-4-14-26(32)27-15-5-9-21-33(27)40;1-38-32-20-18-24(39-34-14-6-2-10-26(34)27-11-3-7-15-35(27)39)22-30(32)31-23-25(19-21-33(31)38)40-36-16-8-4-12-28(36)29-13-5-9-17-37(29)40;1-38-36-22-24(39-32-14-6-2-10-26(32)27-11-3-7-15-33(27)39)18-20-30(36)31-21-19-25(23-37(31)38)40-34-16-8-4-12-28(34)29-13-5-9-17-35(29)40/h3*2-23H,1H3.
What are the key properties of 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole?
1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole has a molecular weight of 1534.88 g/mol, XLogP of 28.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole is sourced from PubChem (CID 159435151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).