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

C41H29N3 — CID 176793482

IUPAC9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C41H29N3/c1-41(2)33-20-12-19-31(39(33)32-23-27-15-6-7-16-28(27)24-34(32)41)35-25-38(43-40(42-35)26-13-4-3-5-14-26)44-36-21-10-8-17-29(36)30-18-9-11-22-37(30)44/h3-25H,1-2H3
InChIKeyQDCHJIIPXNEQSN-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.37
Rot. Bonds3

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

9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole (PubChem CID 176793482) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole
PubChem CID176793482
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C41H29N3/c1-41(2)33-20-12-19-31(39(33)32-23-27-15-6-7-16-28(27)24-34(32)41)35-25-38(43-40(42-35)26-13-4-3-5-14-26)44-36-21-10-8-17-29(36)30-18-9-11-22-37(30)44/h3-25H,1-2H3
InChIKeyQDCHJIIPXNEQSN-UHFFFAOYSA-N
XLogP10.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 176794335
9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 176794826
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176793551
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 176793616
3-[3-[6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794692
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369

Frequently Asked Questions

What is the IUPAC name of 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole (CID 176793482) is 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole?
The InChIKey is QDCHJIIPXNEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-41(2)33-20-12-19-31(39(33)32-23-27-15-6-7-16-28(27)24-34(32)41)35-25-38(43-40(42-35)26-13-4-3-5-14-26)44-36-21-10-8-17-29(36)30-18-9-11-22-37(30)44/h3-25H,1-2H3.
What are the key properties of 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole?
9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole has a molecular weight of 563.70 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole is sourced from PubChem (CID 176793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).