2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile

C47H30N2 — CID 144924958

IUPAC2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3C=C(c5ccccc5)c5ccccc5C43)c2)c1
InChIInChI=1S/C47H30N2/c48-29-30-23-24-49-45(25-30)34-14-10-13-32(26-34)33-21-22-39-43(27-33)47(41-19-8-6-16-36(41)37-17-7-9-20-42(37)47)44-28-40(31-11-2-1-3-12-31)35-15-4-5-18-38(35)46(39)44/h1-28,44,46H
InChIKeyJSSRRVFAOIUNSQ-UHFFFAOYSA-N
MW622.77 g/mol
LogP10.81
Rot. Bonds3

About 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile

2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile (PubChem CID 144924958) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile
PubChem CID144924958
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3C=C(c5ccccc5)c5ccccc5C43)c2)c1
InChIInChI=1S/C47H30N2/c48-29-30-23-24-49-45(25-30)34-14-10-13-32(26-34)33-21-22-39-43(27-33)47(41-19-8-6-16-36(41)37-17-7-9-20-42(37)47)44-28-40(31-11-2-1-3-12-31)35-15-4-5-18-38(35)46(39)44/h1-28,44,46H
InChIKeyJSSRRVFAOIUNSQ-UHFFFAOYSA-N
XLogP10.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
2-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542824
9,9-dimethyl-7-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]fluorene-2-carbonitrile
CID 170371664
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
2-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146542742
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
6'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-carbonitrile
CID 153452261
6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-carbonitrile
CID 162776189
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile (CID 144924958) is 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3C=C(c5ccccc5)c5ccccc5C43)c2)c1.
What is the InChIKey of 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile?
The InChIKey is JSSRRVFAOIUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c48-29-30-23-24-49-45(25-30)34-14-10-13-32(26-34)33-21-22-39-43(27-33)47(41-19-8-6-16-36(41)37-17-7-9-20-42(37)47)44-28-40(31-11-2-1-3-12-31)35-15-4-5-18-38(35)46(39)44/h1-28,44,46H.
What are the key properties of 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile?
2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile has a molecular weight of 622.77 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-phenylspiro[6a,11b-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 144924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).