3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C79H56N2 — CID 159365234

IUPAC3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H29N.C39H27N/c1-26-16-22-34-36(25-26)40(28-10-4-3-5-11-28)33-14-7-6-13-32(33)39(34)29-18-20-30(21-19-29)41-37-15-9-8-12-31(37)35-24-27(2)17-23-38(35)41;1-26-19-24-37-35(25-26)30-13-9-10-18-36(30)40(37)29-22-20-28(21-23-29)39-33-16-7-5-14-31(33)38(27-11-3-2-4-12-27)32-15-6-8-17-34(32)39/h3-25H,1-2H3;2-25H,1H3
InChIKeyLJARSYIVIFFVRQ-UHFFFAOYSA-N
MW1033.33 g/mol
LogP21.77
Rot. Bonds6

About 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 159365234) has the molecular formula C79H56N2 and a molecular weight of 1033.33 g/mol. Its IUPAC name is 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID159365234
Molecular FormulaC79H56N2
Molecular Weight1033.33 g/mol
Exact Mass1032.44
IUPAC Name3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H29N.C39H27N/c1-26-16-22-34-36(25-26)40(28-10-4-3-5-11-28)33-14-7-6-13-32(33)39(34)29-18-20-30(21-19-29)41-37-15-9-8-12-31(37)35-24-27(2)17-23-38(35)41;1-26-19-24-37-35(25-26)30-13-9-10-18-36(30)40(37)29-22-20-28(21-23-29)39-33-16-7-5-14-31(33)38(27-11-3-2-4-12-27)32-15-6-8-17-34(32)39/h3-25H,1-2H3;2-25H,1H3
InChIKeyLJARSYIVIFFVRQ-UHFFFAOYSA-N
XLogP21.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.33
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-[10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 161274378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 159365234) is 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Cc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is LJARSYIVIFFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N.C39H27N/c1-26-16-22-34-36(25-26)40(28-10-4-3-5-11-28)33-14-7-6-13-32(33)39(34)29-18-20-30(21-19-29)41-37-15-9-8-12-31(37)35-24-27(2)17-23-38(35)41;1-26-19-24-37-35(25-26)30-13-9-10-18-36(30)40(37)29-22-20-28(21-23-29)39-33-16-7-5-14-31(33)38(27-11-3-2-4-12-27)32-15-6-8-17-34(32)39/h3-25H,1-2H3;2-25H,1H3.
What are the key properties of 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1033.33 g/mol, XLogP of 21.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 159365234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).