11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole

C46H26F8N4 — CID 134169813

IUPAC11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1c(F)c(F)c(C(F)(F)F)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)c1C(F)(F)F
InChIInChI=1S/C46H26F8N4/c1-55-31-15-7-3-11-23(31)27-21-37-29(19-35(27)55)25-13-5-9-17-33(25)57(37)43-39(45(49,50)51)41(47)42(48)44(40(43)46(52,53)54)58-34-18-10-6-14-26(34)30-20-36-28(22-38(30)58)24-12-4-8-16-32(24)56(36)2/h3-22H,1-2H3
InChIKeyYLOJZTWSVNASJN-UHFFFAOYSA-N
MW786.73 g/mol
LogP13.49
Rot. Bonds2

About 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole

11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole (PubChem CID 134169813) has the molecular formula C46H26F8N4 and a molecular weight of 786.73 g/mol. Its IUPAC name is 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole
PubChem CID134169813
Molecular FormulaC46H26F8N4
Molecular Weight786.73 g/mol
Exact Mass786.20
IUPAC Name11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1c(F)c(F)c(C(F)(F)F)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)c1C(F)(F)F
InChIInChI=1S/C46H26F8N4/c1-55-31-15-7-3-11-23(31)27-21-37-29(19-35(27)55)25-13-5-9-17-33(25)57(37)43-39(45(49,50)51)41(47)42(48)44(40(43)46(52,53)54)58-34-18-10-6-14-26(34)30-20-36-28(22-38(30)58)24-12-4-8-16-32(24)56(36)2/h3-22H,1-2H3
InChIKeyYLOJZTWSVNASJN-UHFFFAOYSA-N
XLogP13.49
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.73
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole
CID 162596636
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 138662214
ethane;bis(9-methylcarbazole)
CID 159710949
9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
CID 170221633
11-(3,5-diphenylphenyl)-5-methylindolo[3,2-b]carbazole;5-methyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 159913931
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
2-[2,4-di(carbazol-9-yl)-5-(2-cyanophenyl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 139553755
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035

Frequently Asked Questions

What is the IUPAC name of 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole?
The IUPAC name of 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole (CID 134169813) is 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole is Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1c(F)c(F)c(C(F)(F)F)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)c1C(F)(F)F.
What is the InChIKey of 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole?
The InChIKey is YLOJZTWSVNASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F8N4/c1-55-31-15-7-3-11-23(31)27-21-37-29(19-35(27)55)25-13-5-9-17-33(25)57(37)43-39(45(49,50)51)41(47)42(48)44(40(43)46(52,53)54)58-34-18-10-6-14-26(34)30-20-36-28(22-38(30)58)24-12-4-8-16-32(24)56(36)2/h3-22H,1-2H3.
What are the key properties of 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole?
11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole has a molecular weight of 786.73 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole is sourced from PubChem (CID 134169813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).