7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole

C45H31N5 — CID 134427149

IUPAC7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)n4)c3cc21
InChIInChI=1S/C45H31N5/c1-45(2)36-22-10-8-19-31(36)34-26-35-32-20-9-11-24-39(32)50(40(35)27-37(34)45)41-25-13-23-38(46-41)44-48-42(29-15-4-3-5-16-29)47-43(49-44)33-21-12-17-28-14-6-7-18-30(28)33/h3-27H,1-2H3
InChIKeyPVRJAOIDHGNASL-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.82
Rot. Bonds4

About 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole (PubChem CID 134427149) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
PubChem CID134427149
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)n4)c3cc21
InChIInChI=1S/C45H31N5/c1-45(2)36-22-10-8-19-31(36)34-26-35-32-20-9-11-24-39(32)50(40(35)27-37(34)45)41-25-13-23-38(46-41)44-48-42(29-15-4-3-5-16-29)47-43(49-44)33-21-12-17-28-14-6-7-18-30(28)33/h3-27H,1-2H3
InChIKeyPVRJAOIDHGNASL-UHFFFAOYSA-N
XLogP10.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole
CID 67678292
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535436
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165154807
7,7-dimethyl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 139342086
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole (CID 134427149) is 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)n4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The InChIKey is PVRJAOIDHGNASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-45(2)36-22-10-8-19-31(36)34-26-35-32-20-9-11-24-39(32)50(40(35)27-37(34)45)41-25-13-23-38(46-41)44-48-42(29-15-4-3-5-16-29)47-43(49-44)33-21-12-17-28-14-6-7-18-30(28)33/h3-27H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 134427149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).