2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole

C43H31N3 — CID 129312217

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ncccn7)cc6)c5c4)c3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-13-5-3-11-34(38)35-21-17-31(26-39(35)43)29-9-7-10-30(25-29)32-18-22-37-36-12-4-6-14-40(36)46(41(37)27-32)33-19-15-28(16-20-33)42-44-23-8-24-45-42/h3-27H,1-2H3
InChIKeyXVISBKDDIAHKFS-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.88
Rot. Bonds4

About 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole

2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole (PubChem CID 129312217) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole
PubChem CID129312217
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ncccn7)cc6)c5c4)c3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-13-5-3-11-34(38)35-21-17-31(26-39(35)43)29-9-7-10-30(25-29)32-18-22-37-36-12-4-6-14-40(36)46(41(37)27-32)33-19-15-28(16-20-33)42-44-23-8-24-45-42/h3-27H,1-2H3
InChIKeyXVISBKDDIAHKFS-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 21783605
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CID 44383301
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CID 44444230
CID 44444230
CID 52942395
CID 52942395
CID 44305776
CID 44305776
CID 44531726
CID 44531726
CID 118444689
CID 118444689
CID 168274202
CID 168274202
CID 168289126
CID 168289126
CID 10981577
CID 10981577
CID 44305954
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CID 44523360
CID 44523360

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole (CID 129312217) is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ncccn7)cc6)c5c4)c3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole?
The InChIKey is XVISBKDDIAHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43(2)38-13-5-3-11-34(38)35-21-17-31(26-39(35)43)29-9-7-10-30(25-29)32-18-22-37-36-12-4-6-14-40(36)46(41(37)27-32)33-19-15-28(16-20-33)42-44-23-8-24-45-42/h3-27H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole?
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole has a molecular weight of 589.74 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)carbazole is sourced from PubChem (CID 129312217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).