4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine

C45H30N2 — CID 150630913

IUPAC4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine
SMILESc1ccc(C2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3-c3ccc4cc(-c5ccc(-c6ccncc6)cc5)ccc4c32)cc1
InChIInChI=1S/C45H30N2/c1-2-4-36(5-3-1)44-43-29-38(33-12-8-31(9-13-33)35-22-26-47-27-23-35)15-18-41(43)42-19-16-39-28-37(14-17-40(39)45(42)44)32-10-6-30(7-11-32)34-20-24-46-25-21-34/h1-29,44H
InChIKeyIXWANNWTCIYYND-UHFFFAOYSA-N
MW598.75 g/mol
LogP11.46
Rot. Bonds5

About 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine

4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine (PubChem CID 150630913) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine
PubChem CID150630913
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine
SMILESc1ccc(C2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3-c3ccc4cc(-c5ccc(-c6ccncc6)cc5)ccc4c32)cc1
InChIInChI=1S/C45H30N2/c1-2-4-36(5-3-1)44-43-29-38(33-12-8-31(9-13-33)35-22-26-47-27-23-35)15-18-41(43)42-19-16-39-28-37(14-17-40(39)45(42)44)32-10-6-30(7-11-32)34-20-24-46-25-21-34/h1-29,44H
InChIKeyIXWANNWTCIYYND-UHFFFAOYSA-N
XLogP11.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline
CID 142352549
2-phenyl-4-[4-[11-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-pyridin-4-yl-1,3,5-triazine
CID 165151206
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
6-pyridin-4-ylnaphthalen-1-ol
CID 53321857
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
3-[6-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]naphthalen-2-yl]dibenzofuran
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CID 58028964
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
CID 158962834
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CID 158775049
2-(4-phenanthren-2-ylphenyl)-13-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
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4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
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CID 67990612

Frequently Asked Questions

What is the IUPAC name of 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine (CID 150630913) is 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine is c1ccc(C2c3cc(-c4ccc(-c5ccncc5)cc4)ccc3-c3ccc4cc(-c5ccc(-c6ccncc6)cc5)ccc4c32)cc1.
What is the InChIKey of 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine?
The InChIKey is IXWANNWTCIYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-4-36(5-3-1)44-43-29-38(33-12-8-31(9-13-33)35-22-26-47-27-23-35)15-18-41(43)42-19-16-39-28-37(14-17-40(39)45(42)44)32-10-6-30(7-11-32)34-20-24-46-25-21-34/h1-29,44H.
What are the key properties of 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine?
4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine has a molecular weight of 598.75 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine is sourced from PubChem (CID 150630913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).