1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline

C43H39N — CID 58983418

IUPAC1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline
SMILESCC1(C)c2ccc(-c3nccc4cc5c(cc34)CCCC5)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C43H39N/c1-42(2)37-20-19-33(41-36-24-31-18-12-11-17-30(31)23-32(36)21-22-44-41)25-38(37)43(3,4)40-27-35(29-15-9-6-10-16-29)34(26-39(40)42)28-13-7-5-8-14-28/h5-10,13-16,19-27H,11-12,17-18H2,1-4H3
InChIKeyQJATXOMIKPBMMY-UHFFFAOYSA-N
MW569.79 g/mol
LogP11.08
Rot. Bonds3

About 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline

1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline (PubChem CID 58983418) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline.

Molecular Properties

Compound Name1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline
PubChem CID58983418
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC Name1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline
SMILESCC1(C)c2ccc(-c3nccc4cc5c(cc34)CCCC5)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C43H39N/c1-42(2)37-20-19-33(41-36-24-31-18-12-11-17-30(31)23-32(36)21-22-44-41)25-38(37)43(3,4)40-27-35(29-15-9-6-10-16-29)34(26-39(40)42)28-13-7-5-8-14-28/h5-10,13-16,19-27H,11-12,17-18H2,1-4H3
InChIKeyQJATXOMIKPBMMY-UHFFFAOYSA-N
XLogP11.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline with MolForge

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Related Compounds

9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
1,12-dimethyl-5-(4-phenylphenyl)-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene
CID 90076677
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline
CID 162503638
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
29-azaheptacyclo[21.6.2.12,6.17,11.112,16.017,22.026,30]tetratriaconta-1(29),2,4,6(34),7,9,11(33),12(32),13,15,17,19,21,23(31),24,26(30),27-heptadecaene
CID 171043591
decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-9,18,27-trione
CID 158617120
6,6,9,9-tetramethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-7,8-dihydrobenzo[g]isoquinoline
CID 118300282
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099

Frequently Asked Questions

What is the IUPAC name of 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline?
The IUPAC name of 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline (CID 58983418) is 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline.
What is the SMILES notation for 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline?
The canonical SMILES for 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline is CC1(C)c2ccc(-c3nccc4cc5c(cc34)CCCC5)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline?
The InChIKey is QJATXOMIKPBMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-42(2)37-20-19-33(41-36-24-31-18-12-11-17-30(31)23-32(36)21-22-44-41)25-38(37)43(3,4)40-27-35(29-15-9-6-10-16-29)34(26-39(40)42)28-13-7-5-8-14-28/h5-10,13-16,19-27H,11-12,17-18H2,1-4H3.
What are the key properties of 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline?
1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline has a molecular weight of 569.79 g/mol, XLogP of 11.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline is sourced from PubChem (CID 58983418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).