9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole

C51H35N3 — CID 176794826

IUPAC9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C51H35N3/c1-51(2)42-24-14-23-40(49(42)41-29-33-17-6-7-18-34(33)30-43(41)51)45-31-44(52-50(53-45)32-15-4-3-5-16-32)36-27-28-48(37-20-9-8-19-35(36)37)54-46-25-12-10-21-38(46)39-22-11-13-26-47(39)54/h3-31H,1-2H3
InChIKeyLUDUBUCYFCORPP-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.19
Rot. Bonds4

About 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole

9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole (PubChem CID 176794826) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole
PubChem CID176794826
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C51H35N3/c1-51(2)42-24-14-23-40(49(42)41-29-33-17-6-7-18-34(33)30-43(41)51)45-31-44(52-50(53-45)32-15-4-3-5-16-32)36-27-28-48(37-20-9-8-19-35(36)37)54-46-25-12-10-21-38(46)39-22-11-13-26-47(39)54/h3-31H,1-2H3
InChIKeyLUDUBUCYFCORPP-UHFFFAOYSA-N
XLogP13.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 176793616
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
9-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]carbazole
CID 176793482
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176793551
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
9-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 167237394
9-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 176794335

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole (CID 176794826) is 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole?
The InChIKey is LUDUBUCYFCORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)42-24-14-23-40(49(42)41-29-33-17-6-7-18-34(33)30-43(41)51)45-31-44(52-50(53-45)32-15-4-3-5-16-32)36-27-28-48(37-20-9-8-19-35(36)37)54-46-25-12-10-21-38(46)39-22-11-13-26-47(39)54/h3-31H,1-2H3.
What are the key properties of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole?
9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole has a molecular weight of 689.86 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 176794826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).