3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole

C45H31N — CID 143844267

IUPAC3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C45H31N/c1-30-19-21-33(22-20-30)44-37-14-5-7-16-39(37)45(40-17-8-6-15-38(40)44)34-25-28-43-41(29-34)36-13-9-10-18-42(36)46(43)35-26-23-32(24-27-35)31-11-3-2-4-12-31/h2-29H,1H3
InChIKeyWUOZRSCPSDQHFA-UHFFFAOYSA-N
MW585.75 g/mol
LogP12.40
Rot. Bonds4

About 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole

3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 143844267) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
PubChem CID143844267
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC Name3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C45H31N/c1-30-19-21-33(22-20-30)44-37-14-5-7-16-39(37)45(40-17-8-6-15-38(40)44)34-25-28-43-41(29-34)36-13-9-10-18-42(36)46(43)35-26-23-32(24-27-35)31-11-3-2-4-12-31/h2-29H,1H3
InChIKeyWUOZRSCPSDQHFA-UHFFFAOYSA-N
XLogP12.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
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
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
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
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-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole (CID 143844267) is 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is WUOZRSCPSDQHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-30-19-21-33(22-20-30)44-37-14-5-7-16-39(37)45(40-17-8-6-15-38(40)44)34-25-28-43-41(29-34)36-13-9-10-18-42(36)46(43)35-26-23-32(24-27-35)31-11-3-2-4-12-31/h2-29H,1H3.
What are the key properties of 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole?
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 585.75 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 143844267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).