2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol

C45H28FN5O — CID 146648692

IUPAC2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol
SMILESOc1ccccc1-c1c(F)cccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1
InChIInChI=1S/C45H28FN5O/c46-36-20-12-19-35(42(36)34-18-7-11-24-41(34)52)44-47-43(28-13-2-1-3-14-28)48-45(49-44)51-39-23-10-6-17-32(39)33-26-25-29(27-40(33)51)50-37-21-8-4-15-30(37)31-16-5-9-22-38(31)50/h1-27,52H
InChIKeyGCHZHCUGQOUESD-UHFFFAOYSA-N
MW673.75 g/mol
LogP10.91
Rot. Bonds5

About 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol

2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol (PubChem CID 146648692) has the molecular formula C45H28FN5O and a molecular weight of 673.75 g/mol. Its IUPAC name is 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol.

Molecular Properties

Compound Name2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol
PubChem CID146648692
Molecular FormulaC45H28FN5O
Molecular Weight673.75 g/mol
Exact Mass673.23
IUPAC Name2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol
SMILESOc1ccccc1-c1c(F)cccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1
InChIInChI=1S/C45H28FN5O/c46-36-20-12-19-35(42(36)34-18-7-11-24-41(34)52)44-47-43(28-13-2-1-3-14-28)48-45(49-44)51-39-23-10-6-17-32(39)33-26-25-29(27-40(33)51)50-37-21-8-4-15-30(37)31-16-5-9-22-38(31)50/h1-27,52H
InChIKeyGCHZHCUGQOUESD-UHFFFAOYSA-N
XLogP10.91
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.75
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-fluoro-N-methylanilino)-5,6-dimethylpyrimidin-2-yl]-2-methylindol-4-ol
CID 124126507
3-[2-Fluoro-3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-2-ol
CID 164030682
2-[2-Fluoro-6-[4-(4-phenylphenyl)-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
CID 164758267
2-[2-Fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
CID 164758313
12-[4-[3-Fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 167048555
9-[4-[3-Fluoro-2-(2-methoxy-5-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167048563
2-[2-Fluoro-6-[4-(4-phenylphenyl)-6-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenol
CID 167048565
(1E,2E,4Z)-1-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-1-(6-methylcyclohexa-2,4-dien-1-ylidene)hexa-2,4-dien-2-ol
CID 167048569
2-[2-Fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
CID 167048570
2-[2-Fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
CID 167048571
CID 174141287
CID 174141287
CID 174141417
CID 174141417

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol?
The IUPAC name of 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol (CID 146648692) is 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol.
What is the SMILES notation for 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol?
The canonical SMILES for 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol is Oc1ccccc1-c1c(F)cccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1.
What is the InChIKey of 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol?
The InChIKey is GCHZHCUGQOUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN5O/c46-36-20-12-19-35(42(36)34-18-7-11-24-41(34)52)44-47-43(28-13-2-1-3-14-28)48-45(49-44)51-39-23-10-6-17-32(39)33-26-25-29(27-40(33)51)50-37-21-8-4-15-30(37)31-16-5-9-22-38(31)50/h1-27,52H.
What are the key properties of 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol?
2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol has a molecular weight of 673.75 g/mol, XLogP of 10.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-fluorophenyl]phenol is sourced from PubChem (CID 146648692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).