2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

C60H41N3 — CID 168779041

IUPAC2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccnc7)cc6)n5)c5ccccc45)c4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C60H41N3/c1-60(2)55-35-43(26-27-52(55)54-33-41-15-6-7-16-42(41)34-56(54)60)45-28-29-50(47-19-9-8-18-46(45)47)51-30-31-53(49-21-11-10-20-48(49)51)59-62-57(39-13-4-3-5-14-39)36-58(63-59)40-24-22-38(23-25-40)44-17-12-32-61-37-44/h3-37H,1-2H3
InChIKeyIKDLZFJMLUSDOH-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.64
Rot. Bonds6

About 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 168779041) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID168779041
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccnc7)cc6)n5)c5ccccc45)c4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C60H41N3/c1-60(2)55-35-43(26-27-52(55)54-33-41-15-6-7-16-42(41)34-56(54)60)45-28-29-50(47-19-9-8-18-46(45)47)51-30-31-53(49-21-11-10-20-48(49)51)59-62-57(39-13-4-3-5-14-39)36-58(63-59)40-24-22-38(23-25-40)44-17-12-32-61-37-44/h3-37H,1-2H3
InChIKeyIKDLZFJMLUSDOH-UHFFFAOYSA-N
XLogP15.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777160
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168776930
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 168779406
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
7-[2-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidin-4-yl]isoquinoline
CID 168779950
2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
2-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 168779041) is 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccnc7)cc6)n5)c5ccccc45)c4ccccc34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is IKDLZFJMLUSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-60(2)55-35-43(26-27-52(55)54-33-41-15-6-7-16-42(41)34-56(54)60)45-28-29-50(47-19-9-8-18-46(45)47)51-30-31-53(49-21-11-10-20-48(49)51)59-62-57(39-13-4-3-5-14-39)36-58(63-59)40-24-22-38(23-25-40)44-17-12-32-61-37-44/h3-37H,1-2H3.
What are the key properties of 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 804.01 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 168779041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).