4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene

C140H93F3N4O7S — CID 165108608

IUPAC4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene
SMILESO=S(=O)(Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12)C(F)(F)F.Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2O.C31H18F3NO4S.C30H19NO2.C25H20/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(44-31-26-40(27-32-44)38-16-6-2-7-17-38)51-35-33-45(54-53(51)47-21-11-13-23-52(47)57-54)41-28-34-50-48(36-41)46-20-10-12-22-49(46)56(50)42-18-8-3-9-19-42;32-31(33,34)40(36,37)39-28-17-15-21(30-29(28)23-11-5-7-13-27(23)38-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)35(26)20-8-2-1-3-9-20;32-27-17-15-21(30-29(27)23-11-5-7-13-28(23)33-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)31(26)20-8-2-1-3-9-20;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-36H;1-18H;1-18,32H;1-18H,19H2
InChIKeyZOMFBALOAHOQJO-UHFFFAOYSA-N
MW2032.37 g/mol
LogP38.40
Rot. Bonds17

About 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene

4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene (PubChem CID 165108608) has the molecular formula C140H93F3N4O7S and a molecular weight of 2032.37 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene
PubChem CID165108608
Molecular FormulaC140H93F3N4O7S
Molecular Weight2032.37 g/mol
Exact Mass2030.67
IUPAC Name4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene
SMILESO=S(=O)(Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12)C(F)(F)F.Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2O.C31H18F3NO4S.C30H19NO2.C25H20/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(44-31-26-40(27-32-44)38-16-6-2-7-17-38)51-35-33-45(54-53(51)47-21-11-13-23-52(47)57-54)41-28-34-50-48(36-41)46-20-10-12-22-49(46)56(50)42-18-8-3-9-19-42;32-31(33,34)40(36,37)39-28-17-15-21(30-29(28)23-11-5-7-13-27(23)38-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)35(26)20-8-2-1-3-9-20;32-27-17-15-21(30-29(27)23-11-5-7-13-28(23)33-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)31(26)20-8-2-1-3-9-20;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-36H;1-18H;1-18,32H;1-18H,19H2
InChIKeyZOMFBALOAHOQJO-UHFFFAOYSA-N
XLogP38.40
TPSA121.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.37
LogP ≤ 538.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene with MolForge

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Related Compounds

N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
[8-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311612
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene (CID 165108608) is 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene is O=S(=O)(Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12)C(F)(F)F.Oc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene?
The InChIKey is ZOMFBALOAHOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O.C31H18F3NO4S.C30H19NO2.C25H20/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(44-31-26-40(27-32-44)38-16-6-2-7-17-38)51-35-33-45(54-53(51)47-21-11-13-23-52(47)57-54)41-28-34-50-48(36-41)46-20-10-12-22-49(46)56(50)42-18-8-3-9-19-42;32-31(33,34)40(36,37)39-28-17-15-21(30-29(28)23-11-5-7-13-27(23)38-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)35(26)20-8-2-1-3-9-20;32-27-17-15-21(30-29(27)23-11-5-7-13-28(23)33-30)19-14-16-26-24(18-19)22-10-4-6-12-25(22)31(26)20-8-2-1-3-9-20;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-36H;1-18H;1-18,32H;1-18H,19H2.
What are the key properties of 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene?
4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene has a molecular weight of 2032.37 g/mol, XLogP of 38.40, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-(9-phenylcarbazol-3-yl)dibenzofuran-1-ol;[4-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl] trifluoromethanesulfonate;1-phenyl-4-[(4-phenylphenyl)methyl]benzene is sourced from PubChem (CID 165108608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).