9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole

C55H41NO — CID 123842578

IUPAC9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c2oc3ccccc3c12
InChIInChI=1S/C55H41NO/c1-34-21-31-40(54-51(34)46-18-10-12-20-50(46)57-54)37-26-32-49-47(33-37)41-13-9-11-19-48(41)56(49)39-29-24-36(25-30-39)53-44-16-7-5-14-42(44)52(43-15-6-8-17-45(43)53)35-22-27-38(28-23-35)55(2,3)4/h5-33H,1-4H3
InChIKeyXVKHZBTVRLHXAQ-UHFFFAOYSA-N
MW731.94 g/mol
LogP15.60
Rot. Bonds4

About 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole

9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole (PubChem CID 123842578) has the molecular formula C55H41NO and a molecular weight of 731.94 g/mol. Its IUPAC name is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole
PubChem CID123842578
Molecular FormulaC55H41NO
Molecular Weight731.94 g/mol
Exact Mass731.32
IUPAC Name9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c2oc3ccccc3c12
InChIInChI=1S/C55H41NO/c1-34-21-31-40(54-51(34)46-18-10-12-20-50(46)57-54)37-26-32-49-47(33-37)41-13-9-11-19-48(41)56(49)39-29-24-36(25-30-39)53-44-16-7-5-14-42(44)52(43-15-6-8-17-45(43)53)35-22-27-38(28-23-35)55(2,3)4/h5-33H,1-4H3
InChIKeyXVKHZBTVRLHXAQ-UHFFFAOYSA-N
XLogP15.60
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 515.60
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

4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 159356417
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 90180761
11-(3-tert-butyl-10-phenylanthracen-9-yl)-15-(10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3,4-diphenylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-3-[10-[15-(10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaen-11-yl]anthracen-9-yl]carbazole
CID 165102974
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole
CID 90068525
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 159405413
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole?
The IUPAC name of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole (CID 123842578) is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c4ccccc34)cc2)c2oc3ccccc3c12.
What is the InChIKey of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole?
The InChIKey is XVKHZBTVRLHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO/c1-34-21-31-40(54-51(34)46-18-10-12-20-50(46)57-54)37-26-32-49-47(33-37)41-13-9-11-19-48(41)56(49)39-29-24-36(25-30-39)53-44-16-7-5-14-42(44)52(43-15-6-8-17-45(43)53)35-22-27-38(28-23-35)55(2,3)4/h5-33H,1-4H3.
What are the key properties of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole?
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole has a molecular weight of 731.94 g/mol, XLogP of 15.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 123842578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).