3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine

C35H31N — CID 170044712

IUPAC3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
SMILESC1=Cc2c(c(C3=CC=C(c4cccnc4)CC3)c3ccccc3c2C2=CC=C3C=CCCC3C2)CC1
InChIInChI=1S/C35H31N/c1-2-9-27-22-28(20-17-24(27)8-1)35-32-13-5-3-11-30(32)34(31-12-4-6-14-33(31)35)26-18-15-25(16-19-26)29-10-7-21-36-23-29/h1,3,5-8,10-11,13-15,17-18,20-21,23,27H,2,4,9,12,16,19,22H2
InChIKeyVUSLWJUUGWYBJN-UHFFFAOYSA-N
MW465.64 g/mol
LogP9.13
Rot. Bonds3

About 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine

3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine (PubChem CID 170044712) has the molecular formula C35H31N and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
PubChem CID170044712
Molecular FormulaC35H31N
Molecular Weight465.64 g/mol
Exact Mass465.25
IUPAC Name3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
SMILESC1=Cc2c(c(C3=CC=C(c4cccnc4)CC3)c3ccccc3c2C2=CC=C3C=CCCC3C2)CC1
InChIInChI=1S/C35H31N/c1-2-9-27-22-28(20-17-24(27)8-1)35-32-13-5-3-11-30(32)34(31-12-4-6-14-33(31)35)26-18-15-25(16-19-26)29-10-7-21-36-23-29/h1,3,5-8,10-11,13-15,17-18,20-21,23,27H,2,4,9,12,16,19,22H2
InChIKeyVUSLWJUUGWYBJN-UHFFFAOYSA-N
XLogP9.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771
10-[9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-6-phenothiazin-10-yl-10-(4-phenylphenyl)anthracen-2-yl]phenothiazine
CID 89111231
4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
CID 163875328
4-phenyl-2-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130461803
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-(6-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-6-[3-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 174330295
9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-[4-[10-(7,8-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123757413
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
(4E,5E)-6-(1,7,8,8a-tetrahydronaphthalen-2-yl)-7-(cyclohexen-1-yl)-5-ethylidene-3-phenyl-4-propylidene-1-benzothiophene
CID 88934185

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine?
The IUPAC name of 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine (CID 170044712) is 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine.
What is the SMILES notation for 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine?
The canonical SMILES for 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine is C1=Cc2c(c(C3=CC=C(c4cccnc4)CC3)c3ccccc3c2C2=CC=C3C=CCCC3C2)CC1.
What is the InChIKey of 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine?
The InChIKey is VUSLWJUUGWYBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N/c1-2-9-27-22-28(20-17-24(27)8-1)35-32-13-5-3-11-30(32)34(31-12-4-6-14-33(31)35)26-18-15-25(16-19-26)29-10-7-21-36-23-29/h1,3,5-8,10-11,13-15,17-18,20-21,23,27H,2,4,9,12,16,19,22H2.
What are the key properties of 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine?
3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine has a molecular weight of 465.64 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine is sourced from PubChem (CID 170044712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).