4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine

C59H40N2 — CID 168779616

IUPAC4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H40N2/c1-59(2)54-32-27-41(34-52(54)53-33-39-18-6-7-19-40(39)35-55(53)59)43-28-29-48(45-23-11-10-22-44(43)45)49-30-31-51(47-25-13-12-24-46(47)49)57-36-56(60-58(61-57)38-16-4-3-5-17-38)50-26-14-20-37-15-8-9-21-42(37)50/h3-36H,1-2H3
InChIKeyDUFXJWICXDEANV-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.73
Rot. Bonds5

About 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine

4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine (PubChem CID 168779616) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
PubChem CID168779616
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H40N2/c1-59(2)54-32-27-41(34-52(54)53-33-39-18-6-7-19-40(39)35-55(53)59)43-28-29-48(45-23-11-10-22-44(43)45)49-30-31-51(47-25-13-12-24-46(47)49)57-36-56(60-58(61-57)38-16-4-3-5-17-38)50-26-14-20-37-15-8-9-21-42(37)50/h3-36H,1-2H3
InChIKeyDUFXJWICXDEANV-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778262
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777562
4-[4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776932
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777122
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779834
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168779638
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168778780
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]pyrimidine
CID 176793365
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine?
The IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine (CID 168779616) is 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine?
The InChIKey is DUFXJWICXDEANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-59(2)54-32-27-41(34-52(54)53-33-39-18-6-7-19-40(39)35-55(53)59)43-28-29-48(45-23-11-10-22-44(43)45)49-30-31-51(47-25-13-12-24-46(47)49)57-36-56(60-58(61-57)38-16-4-3-5-17-38)50-26-14-20-37-15-8-9-21-42(37)50/h3-36H,1-2H3.
What are the key properties of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine?
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine has a molecular weight of 776.98 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine is sourced from PubChem (CID 168779616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).