2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole

C47H33N3 — CID 176793551

IUPAC2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-22-13-21-37(45(39)38-26-31-16-9-10-17-32(31)27-40(38)47)42-29-41(48-46(49-42)30-14-5-3-6-15-30)33-24-25-36-35-20-11-12-23-43(35)50(44(36)28-33)34-18-7-4-8-19-34/h3-29H,1-2H3
InChIKeyHHLFPLCVYONWJC-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.03
Rot. Bonds4

About 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole

2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole (PubChem CID 176793551) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
PubChem CID176793551
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-22-13-21-37(45(39)38-26-31-16-9-10-17-32(31)27-40(38)47)42-29-41(48-46(49-42)30-14-5-3-6-15-30)33-24-25-36-35-20-11-12-23-43(35)50(44(36)28-33)34-18-7-4-8-19-34/h3-29H,1-2H3
InChIKeyHHLFPLCVYONWJC-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
3-[3-[6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794692
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369
4-[3-[6-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 176793198
4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794510
4-[4-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794441
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176793379

Frequently Asked Questions

What is the IUPAC name of 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole (CID 176793551) is 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
The InChIKey is HHLFPLCVYONWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(2)39-22-13-21-37(45(39)38-26-31-16-9-10-17-32(31)27-40(38)47)42-29-41(48-46(49-42)30-14-5-3-6-15-30)33-24-25-36-35-20-11-12-23-43(35)50(44(36)28-33)34-18-7-4-8-19-34/h3-29H,1-2H3.
What are the key properties of 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole?
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole has a molecular weight of 639.80 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 176793551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).